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Molecule
Ammonium Hexafluorotitanate
CAS: 16962-40-6 · H8F6N2Ti
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16962-40-6
- Molecular Formula
- H8F6N2Ti
- Molecular Mass
- 197.933 g/mol
Identifiers
CAS Registry Number
16962-40-6
SMILES
F.F.N.N.[F-].[F-].[F-].[F-].[Ti+4]
InChI Key
NMGYKLMMQCTUGI-UHFFFAOYSA-J
InChI
InChI=1S/6FH.2H3N.Ti/h6*1H;2*1H3;/q;;;;;;;;+4/p-4
Names and Synonyms
- Ammonium Hexafluorotitanate Common Name
- Titanate(2-), hexafluoro-, ammonium (1:2), (OC-6-11)- Synonym
- Titanate(2-), hexafluoro-, diammonium Synonym
- Titanate(2-), hexafluoro-, diammonium, (OC-6-11)- Synonym
- Ammonium hexafluorotitanate(IV) Synonym
- Ammonium fluotitanate(IV) Synonym
- Ammonium hexafluorotitanate Synonym
- Diammonium hexafluorotitanate Synonym
- Diammonium hexafluorotitanate(2-) Synonym
- Diammonium titanium hexafluoride Synonym
- DC 2104 Synonym
- Diammonium titanium hexafluoride ((NH4)2TiF6) Synonym
- Ammonium hexafluorotitanate (NH4)2TiF6 Synonym
- DC 2104 (titanate) Synonym
- Ammonium titanium fluoride ((NH4)2TiF6) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_hexafluorotitanate | CAS Common Chemistry |
| Canonical SMILES | [F-][Ti+4]([F-])([F-])([F-])([F-])[F-].[NH4+] | CAS Common Chemistry |
| InChI | InChI=1S/6FH.2H3N.Ti/h6*1H;2*1H3;/q;;;;;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=NMGYKLMMQCTUGI-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Ammonium hexafluorotitanate | CAS Common Chemistry |
| Molecular Mass | 197.933 g/mol | RDKit |
| 198.007113876 g/mol | RDKit | |
| 203.981 g/mol | chempirical lib | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 70.0 Ų | RDKit |
| LogP | -11.3575 | RDKit |
| Molar Refractivity | 15.050199999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 197.93 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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40
20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 197.93 g/mol. Edit any field — others recompute live.
