CID 6625011
4-(1,1-dioxidoisothiazolidin-2-yl)benzoic acid
Structural Information
- Molecular Formula
- C10H11NO4S
- SMILES
- C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)C(=O)O
- InChI
- InChI=1S/C10H11NO4S/c12-10(13)8-2-4-9(5-3-8)11-6-1-7-16(11,14)15/h2-5H,1,6-7H2,(H,12,13)
- InChIKey
- DCRLGJUQBZUHLG-UHFFFAOYSA-N
- Compound name
- 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 242.04816 | 150.8 |
[M+Na]+ | 264.03010 | 160.9 |
[M+NH4]+ | 259.07470 | 158.9 |
[M+K]+ | 280.00404 | 154.6 |
[M-H]- | 240.03360 | 151.5 |
[M+Na-2H]- | 262.01555 | 156.7 |
[M]+ | 241.04033 | 152.7 |
[M]- | 241.04143 | 152.7 |