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Molecule
Phosphate(1-), Hexafluoro-, Nitryl (1:1)
CAS: 19200-21-6 · H2F6NO2P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19200-21-6
- Molecular Formula
- H2F6NO2P
- Molecular Mass
- 192.98 g/mol
Identifiers
CAS Registry Number
19200-21-6
SMILES
F[P-](F)(F)(F)(F)F.ON=[OH+]
InChI Key
VXVFBWUABYHPFL-UHFFFAOYSA-O
InChI
InChI=1S/F6P.HNO2/c1-7(2,3,4,5)6;2-1-3/h;(H,2,3)/q-1;/p+1
Names and Synonyms
- Phosphate(1-), Hexafluoro-, Nitryl (1:1) Systematic Name
- Phosphate(1-), hexafluoro-, nitryl (1:1) Synonym
- Phosphate(1-), hexafluoro-, nitryl Synonym
- Nitryl hexafluorophosphate Synonym
- Nitronium hexafluorophosphate Synonym
- Nitronium hexafluorophosphate(1-) Synonym
- Nitryl hexafluorophosphate(1-) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 192.98 g/mol | CAS Common Chemistry |
| 192.98300000000003 g/mol | RDKit | |
| 192.983 g/mol | RDKit | |
| Canonical SMILES | O=N[O+].[F-][P+5]([F-])([F-])([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/F6P.HNO2/c1-7(2,3,4,5)6;2-1-3/h;(H,2,3)/q-1;/p+1 | CAS Common Chemistry |
| InChI Key | InChIKey=VXVFBWUABYHPFL-UHFFFAOYSA-O | CAS Common Chemistry |
| Name | Phosphate(1-), hexafluoro-, nitryl (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 53.99 Ų | RDKit |
| 55.41 Ų | chempirical lib | |
| LogP | 3.3141 | RDKit |
| Molar Refractivity | 19.718300000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 192.97273425400002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 192.98 g/mol. Edit any field — others recompute live.
