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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.