CID 1653057
64910-68-5
Structural Information
- Molecular Formula
- C12H11ClN2O3S
- SMILES
- C1=CC(=CC=C1N)OS(=O)(=O)C2=CC(=C(C=C2)Cl)N
- InChI
- InChI=1S/C12H11ClN2O3S/c13-11-6-5-10(7-12(11)15)19(16,17)18-9-3-1-8(14)2-4-9/h1-7H,14-15H2
- InChIKey
- COMDKLMEFBOYIJ-UHFFFAOYSA-N
- Compound name
- (4-aminophenyl) 3-amino-4-chlorobenzenesulfonate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 299.02516 | 162.4 |
[M+Na]+ | 321.00710 | 172.2 |
[M-H]- | 297.01060 | 169.1 |
[M+NH4]+ | 316.05170 | 178.1 |
[M+K]+ | 336.98104 | 166.2 |
[M+H-H2O]+ | 281.01514 | 156.3 |
[M+HCOO]- | 343.01608 | 177.8 |
[M+CH3COO]- | 357.03173 | 200.9 |
[M+Na-2H]- | 318.99255 | 165.9 |
[M]+ | 298.01733 | 165.2 |
[M]- | 298.01843 | 165.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.