CID 79322
5361-54-6
Structural Information
- Molecular Formula
- C13H10O4S
- SMILES
- C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O
- InChI
- InChI=1S/C13H10O4S/c14-13(15)10-6-8-12(9-7-10)18(16,17)11-4-2-1-3-5-11/h1-9H,(H,14,15)
- InChIKey
- PKXDNBNSQBZKFO-UHFFFAOYSA-N
- Compound name
- 4-(benzenesulfonyl)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 263.03725 | 154.8 |
[M+Na]+ | 285.01919 | 163.0 |
[M-H]- | 261.02269 | 160.7 |
[M+NH4]+ | 280.06379 | 170.8 |
[M+K]+ | 300.99313 | 158.9 |
[M+H-H2O]+ | 245.02723 | 148.3 |
[M+HCOO]- | 307.02817 | 171.7 |
[M+CH3COO]- | 321.04382 | 188.5 |
[M+Na-2H]- | 283.00464 | 159.1 |
[M]+ | 262.02942 | 156.8 |
[M]- | 262.03052 | 156.8 |