CID 4962127
3-(cyclopropylsulfamoyl)benzoic acid
Structural Information
- Molecular Formula
- C10H11NO4S
- SMILES
- C1CC1NS(=O)(=O)C2=CC=CC(=C2)C(=O)O
- InChI
- InChI=1S/C10H11NO4S/c12-10(13)7-2-1-3-9(6-7)16(14,15)11-8-4-5-8/h1-3,6,8,11H,4-5H2,(H,12,13)
- InChIKey
- KBRLADOVWCDAEI-UHFFFAOYSA-N
- Compound name
- 3-(cyclopropylsulfamoyl)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 242.04816 | 154.6 |
[M+Na]+ | 264.03010 | 165.4 |
[M+NH4]+ | 259.07470 | 161.7 |
[M+K]+ | 280.00404 | 161.2 |
[M-H]- | 240.03360 | 162.5 |
[M+Na-2H]- | 262.01555 | 162.0 |
[M]+ | 241.04033 | 159.7 |
[M]- | 241.04143 | 159.7 |