CID 94807

4,4'-diaminobiphenyl-3,3'-disulfonic acid

Structural Information

Molecular Formula
C12H12N2O6S2
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O)N
InChI
InChI=1S/C12H12N2O6S2/c13-9-3-1-7(5-11(9)21(15,16)17)8-2-4-10(14)12(6-8)22(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20)
InChIKey
NFSOOPQRTBEFDR-UHFFFAOYSA-N
Compound name
2-amino-5-(4-amino-3-sulfophenyl)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

276
Patents

344.01367 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.02095 172.6
[M+Na]+ 367.00289 180.2
[M-H]- 343.00639 175.4
[M+NH4]+ 362.04749 183.3
[M+K]+ 382.97683 173.7
[M+H-H2O]+ 327.01093 165.6
[M+HCOO]- 389.01187 182.7
[M+CH3COO]- 403.02752 204.8
[M+Na-2H]- 364.98834 175.9
[M]+ 344.01312 172.5
[M]- 344.01422 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe