CID 21241975
2-hydroxy-4-sulfanylbenzoic acid
Structural Information
- Molecular Formula
- C7H6O3S
- SMILES
- C1=CC(=C(C=C1S)O)C(=O)O
- InChI
- InChI=1S/C7H6O3S/c8-6-3-4(11)1-2-5(6)7(9)10/h1-3,8,11H,(H,9,10)
- InChIKey
- MVWBXFLOUDFQLM-UHFFFAOYSA-N
- Compound name
- 2-hydroxy-4-sulfanylbenzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 171.01105 | 130.3 |
[M+Na]+ | 192.99299 | 139.4 |
[M-H]- | 168.99649 | 132.3 |
[M+NH4]+ | 188.03759 | 150.2 |
[M+K]+ | 208.96693 | 136.5 |
[M+H-H2O]+ | 153.00103 | 125.6 |
[M+HCOO]- | 215.00197 | 147.0 |
[M+CH3COO]- | 229.01762 | 172.3 |
[M+Na-2H]- | 190.97844 | 132.9 |
[M]+ | 170.00322 | 131.7 |
[M]- | 170.00432 | 131.7 |