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

compound 2d structure
1
Annotation Hits

0
References

88
Patents

375.98575 Da
Monoisotopic Mass

0.1
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe