CID 653734
90250-68-3
Structural Information
- Molecular Formula
- C9H12N2O4S
- SMILES
- CN(C)S(=O)(=O)NC1=CC=C(C=C1)C(=O)O
- InChI
- InChI=1S/C9H12N2O4S/c1-11(2)16(14,15)10-8-5-3-7(4-6-8)9(12)13/h3-6,10H,1-2H3,(H,12,13)
- InChIKey
- GIHVRYUPCABTQW-UHFFFAOYSA-N
- Compound name
- 4-(dimethylsulfamoylamino)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 245.05905 | 149.7 |
[M+Na]+ | 267.04099 | 156.2 |
[M-H]- | 243.04449 | 153.5 |
[M+NH4]+ | 262.08559 | 166.5 |
[M+K]+ | 283.01493 | 154.7 |
[M+H-H2O]+ | 227.04903 | 143.1 |
[M+HCOO]- | 289.04997 | 168.5 |
[M+CH3COO]- | 303.06562 | 194.1 |
[M+Na-2H]- | 265.02644 | 153.6 |
[M]+ | 244.05122 | 152.2 |
[M]- | 244.05232 | 152.2 |