Back to Search
Lithium Bis(Fluorosulfonyl)Imide
CAS: 171611-11-3 | HF2LiNO4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
171611-11-3
Molecular Formula:
HF2LiNO4S2
Molecular Mass:
188.08 g/mol
Names and Synonyms:
Lithium Bis(Fluorosulfonyl)Imide
Imidodisulfuryl fluoride, lithium salt (1:1)
Imidodisulfuryl fluoride, lithium salt
Lithium bis(fluorosulfonyl)imide
LiFSI
Ionel LF 101
Li(FSO2)2N
Identifiers:
SMILES:
O=S(=O)(F)NS(=O)(=O)F.[Li]
InChI:
InChI=1S/F2HNO4S2.Li/c1-8(4,5)3-9(2,6)7;/h3H;
Key Properties
Melting Point
124-128 °C
CAS Common Chemistry
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 | 188.08 g/mol | CAS Common Chemistry |
| 188.082 g/mol | RDKit | |
| 187.947510502 g/mol | RDKit | |
| Canonical SMILES | [Li].O=S(=O)(F)NS(=O)(=O)F | CAS Common Chemistry |
| InChI | InChI=1S/F2HNO4S2.Li/c1-8(4,5)3-9(2,6)7;/h3H; | CAS Common Chemistry |
| InChI Key | InChIKey=PIAMXHUFQAOKRH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 124-128 °C | CAS Common Chemistry |
| Name | Lithium bis(fluorosulfonyl)imide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.31 Ų | RDKit |
| LogP | -1.3762 | RDKit |
| Molar Refractivity | 28.945300000000007 | RDKit |
