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Molecule
Methanesulfonyl Fluoride
CAS: 558-25-8 · CH3FO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 558-25-8
- Molecular Formula
- CH3FO2S
- Molecular Mass
- 98.10 g/mol
Identifiers
CAS Registry Number
558-25-8
SMILES
CS(=O)(=O)F
InChI Key
KNWQLFOXPQZGPX-UHFFFAOYSA-N
InChI
InChI=1S/CH3FO2S/c1-5(2,3)4/h1H3
Names and Synonyms
- Methanesulfonyl Fluoride Synonym
- Methanesulfonyl fluoride Synonym
- Fumette Synonym
- MSF Synonym
- Fluoro methyl sulfone Synonym
- Mesyl fluoride Synonym
- Methylsulfonyl fluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 98.10 g/mol | CAS Common Chemistry |
| 98.09800000000001 g/mol | RDKit | |
| 98.098 g/mol | RDKit | |
| 98.091 g/mol | chempirical lib | |
| Density | 1.35 g/cm³ | CAS Common Chemistry |
| 1.3470 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methanesulfonyl_fluoride | CAS Common Chemistry |
| Boiling Point | 123-124 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(F)C | CAS Common Chemistry |
| InChI | InChI=1S/CH3FO2S/c1-5(2,3)4/h1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KNWQLFOXPQZGPX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methanesulfonyl fluoride | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | -0.08449999999999991 | RDKit |
| -0.0845 | RDKit | |
| Molar Refractivity | 15.951800000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 97.983778556 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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 = 98.10 g/mol; density = 1.350 g/mL. Edit any field — others recompute live.
