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Molecule
Lithium Bis(Fluorosulfonyl)Imide
CAS: 171611-11-3 · HF2LiNO4S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 171611-11-3
- Molecular Formula
- HF2LiNO4S2
- Molecular Mass
- 188.08 g/mol
Identifiers
CAS Registry Number
171611-11-3
SMILES
O=S(=O)(F)NS(=O)(=O)F.[Li]
InChI Key
PIAMXHUFQAOKRH-UHFFFAOYSA-N
InChI
InChI=1S/F2HNO4S2.Li/c1-8(4,5)3-9(2,6)7;/h3H;
Names and Synonyms
- Lithium Bis(Fluorosulfonyl)Imide Synonym
- Imidodisulfuryl fluoride, lithium salt (1:1) Synonym
- Imidodisulfuryl fluoride, lithium salt Synonym
- Lithium bis(fluorosulfonyl)imide Synonym
- LiFSI Synonym
- Ionel LF 101 Synonym
- Li(FSO2)2N Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.08 g/mol | CAS Common Chemistry |
| 188.082 g/mol | RDKit | |
| 189.076 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 187.947510502 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 188.08 g/mol. Edit any field — others recompute live.
