Back to Search
Ammonium Hexafluorotitanate
CAS: 16962-40-6 | H8F6N2Ti
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16962-40-6
Molecular Formula:
H8F6N2Ti
Molecular Mass:
197.93 g/mol
Names and Synonyms:
Ammonium Hexafluorotitanate
Titanate(2-), hexafluoro-, ammonium (1:2), (OC-6-11)-
Titanate(2-), hexafluoro-, diammonium
Titanate(2-), hexafluoro-, diammonium, (OC-6-11)-
Ammonium hexafluorotitanate(IV)
Ammonium fluotitanate(IV)
Ammonium hexafluorotitanate
Diammonium hexafluorotitanate
Diammonium hexafluorotitanate(2-)
Diammonium titanium hexafluoride
DC 2104
Diammonium titanium hexafluoride ((NH4)2TiF6)
Ammonium hexafluorotitanate (NH4)2TiF6
DC 2104 (titanate)
Ammonium titanium fluoride ((NH4)2TiF6)
Identifiers:
SMILES:
F.F.N.N.[F-].[F-].[F-].[F-].[Ti+4]
InChI:
InChI=1S/6FH.2H3N.Ti/h6*1H;2*1H3;/q;;;;;;;;+4/p-4
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.93 g/mol | CAS Common Chemistry |
| 197.933 g/mol | RDKit | |
| 198.007113876 g/mol | RDKit | |
| 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 |
| 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 | RDKit |
