CID 23423129
2408-16-4
Structural Information
- Molecular Formula
- C3H3F3O3S
- SMILES
- C(C(=O)O)S(=O)C(F)(F)F
- InChI
- InChI=1S/C3H3F3O3S/c4-3(5,6)10(9)1-2(7)8/h1H2,(H,7,8)
- InChIKey
- OHDAVEJIUHVHDD-UHFFFAOYSA-N
- Compound name
- 2-(trifluoromethylsulfinyl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 176.98278 | 125.8 |
[M+Na]+ | 198.96472 | 134.0 |
[M-H]- | 174.96822 | 121.3 |
[M+NH4]+ | 194.00932 | 145.4 |
[M+K]+ | 214.93866 | 132.7 |
[M+H-H2O]+ | 158.97276 | 119.2 |
[M+HCOO]- | 220.97370 | 137.9 |
[M+CH3COO]- | 234.98935 | 173.1 |
[M+Na-2H]- | 196.95017 | 127.3 |
[M]+ | 175.97495 | 123.5 |
[M]- | 175.97605 | 123.5 |
Literature stripe
No literature data available for this compound.