CID 1353981
276695-40-0
Structural Information
- Molecular Formula
- C15H14ClNO4S
- SMILES
- C1=CC=C(C=C1)CN(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl
- InChI
- InChI=1S/C15H14ClNO4S/c16-13-6-8-14(9-7-13)22(20,21)17(11-15(18)19)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
- InChIKey
- JPVGYZQZTZCLRZ-UHFFFAOYSA-N
- Compound name
- 2-[benzyl-(4-chlorophenyl)sulfonylamino]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 340.04048 | 172.3 |
[M+Na]+ | 362.02242 | 179.4 |
[M-H]- | 338.02592 | 179.2 |
[M+NH4]+ | 357.06702 | 186.3 |
[M+K]+ | 377.99636 | 174.6 |
[M+H-H2O]+ | 322.03046 | 165.7 |
[M+HCOO]- | 384.03140 | 185.5 |
[M+CH3COO]- | 398.04705 | 206.4 |
[M+Na-2H]- | 360.00787 | 175.4 |
[M]+ | 339.03265 | 177.7 |
[M]- | 339.03375 | 177.7 |
Literature stripe
Patent stripe
No patent data available for this compound.