CID 138039569
2241140-92-9
Structural Information
- Molecular Formula
- C7H6F3NO2S
- SMILES
- CC1=CC(=NC=C1S(=O)O)C(F)(F)F
- InChI
- InChI=1S/C7H6F3NO2S/c1-4-2-6(7(8,9)10)11-3-5(4)14(12)13/h2-3H,1H3,(H,12,13)
- InChIKey
- JFGDTYUTNBHQTB-UHFFFAOYSA-N
- Compound name
- 4-methyl-6-(trifluoromethyl)pyridine-3-sulfinic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 226.01442 | 138.8 |
[M+Na]+ | 247.99636 | 148.8 |
[M-H]- | 223.99986 | 136.7 |
[M+NH4]+ | 243.04096 | 155.8 |
[M+K]+ | 263.97030 | 145.3 |
[M+H-H2O]+ | 208.00440 | 130.7 |
[M+HCOO]- | 270.00534 | 150.7 |
[M+CH3COO]- | 284.02099 | 183.4 |
[M+Na-2H]- | 245.98181 | 140.8 |
[M]+ | 225.00659 | 137.0 |
[M]- | 225.00769 | 137.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.