CID 67053
Benzenesulfonic acid, 2,2'-thiobis[5-amino-
Structural Information
- Molecular Formula
- C12H12N2O6S3
- SMILES
- C1=CC(=C(C=C1N)S(=O)(=O)O)SC2=C(C=C(C=C2)N)S(=O)(=O)O
- InChI
- InChI=1S/C12H12N2O6S3/c13-7-1-3-9(11(5-7)22(15,16)17)21-10-4-2-8(14)6-12(10)23(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20)
- InChIKey
- CHBFUBKXMBQCKO-UHFFFAOYSA-N
- Compound name
- 5-amino-2-(4-amino-2-sulfophenyl)sulfanylbenzenesulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 376.99303 | 180.0 |
[M+Na]+ | 398.97497 | 186.5 |
[M-H]- | 374.97847 | 181.0 |
[M+NH4]+ | 394.01957 | 188.8 |
[M+K]+ | 414.94891 | 177.4 |
[M+H-H2O]+ | 358.98301 | 172.7 |
[M+HCOO]- | 420.98395 | 184.1 |
[M+CH3COO]- | 434.99960 | 209.7 |
[M+Na-2H]- | 396.96042 | 183.5 |
[M]+ | 375.98520 | 178.8 |
[M]- | 375.98630 | 178.8 |
Literature stripe
No literature data available for this compound.