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Molecule
Nitrosonium Hexafluorophosphate
CAS: 16921-91-8 · H2F6NOP
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16921-91-8
- Molecular Formula
- H2F6NOP
- Molecular Mass
- 176.98 g/mol
Identifiers
CAS Registry Number
16921-91-8
SMILES
F[P-](F)(F)(F)(F)F.N[O+]
InChI Key
ODGRPIJWFMTBAJ-UHFFFAOYSA-N
InChI
InChI=1S/F6P.H2NO/c1-7(2,3,4,5)6;1-2/h;1H2/q-1;+1
Names and Synonyms
- Nitrosonium Hexafluorophosphate Common Name
- Phosphate(1-), hexafluoro-, nitrosyl (1:1) Synonym
- Phosphate(1-), hexafluoro-, nitrosyl Synonym
- Nitrosyl hexafluorophosphate Synonym
- Nitrosonium hexafluorophosphate Synonym
- Nitrosyl hexafluorophosphate(1-) Synonym
- Nitrosonium hexafluorophosphate(1-) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 176.98 g/mol | CAS Common Chemistry |
| 176.984 g/mol | RDKit | |
| 179.0 g/mol | chempirical lib | |
| Canonical SMILES | [N+]=O.[F-][P+5]([F-])([F-])([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/F6P.H2NO/c1-7(2,3,4,5)6;1-2/h;1H2/q-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=ODGRPIJWFMTBAJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Nitrosonium hexafluorophosphate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 45.92 Ų | RDKit |
| LogP | 2.6729999999999996 | RDKit |
| 2.673 | RDKit | |
| 2.49 | chempirical lib | |
| Molar Refractivity | 18.441900000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 176.977819634 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
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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.
External Resources
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MW = 176.98 g/mol. Edit any field — others recompute live.
