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Ammonium Hexafluorophosphate
CAS: 16941-11-0 | H4F6NP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16941-11-0
Molecular Formula:
H4F6NP
Molecular Mass:
163.00 g/mol
Names and Synonyms:
Ammonium Hexafluorophosphate
Phosphate(1-), hexafluoro-, ammonium (1:1)
Phosphate(1-), hexafluoro-, ammonium
Ammonium hexafluorophosphate
Ammonium hexafluorophosphate(1-)
Ammonium hexafluorophosphate (NH4PF6)
NSC 403554
NSC 407930
Phosphate(1-), hexafluoro-, hydrogen, ammoniate (1:1:1)
Identifiers:
SMILES:
F[P-](F)(F)(F)(F)F.[NH4+]
InChI:
InChI=1S/F6P.H3N/c1-7(2,3,4,5)6;/h;1H3/q-1;/p+1
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 | 163.00 g/mol | CAS Common Chemistry |
| 163.00100000000003 g/mol | RDKit | |
| 162.998555078 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_hexafluorophosphate | CAS Common Chemistry |
| Canonical SMILES | [F-][P+5]([F-])([F-])([F-])([F-])[F-].[NH4+] | CAS Common Chemistry |
| InChI | InChI=1S/F6P.H3N/c1-7(2,3,4,5)6;/h;1H3/q-1;/p+1 | CAS Common Chemistry |
| InChI Key | InChIKey=NIZXKAYXSNUDOU-UHFFFAOYSA-O | CAS Common Chemistry |
| Name | Ammonium hexafluorophosphate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.5 Ų | RDKit |
| LogP | 3.7585999999999995 | RDKit |
| Molar Refractivity | 19.55280000000001 | RDKit |
