CID 60996

4-aminoazobenzene-3,4'-disulfonic acid

Structural Information

Molecular Formula
C12H11N3O6S2
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C12H11N3O6S2/c13-11-6-3-9(7-12(11)23(19,20)21)15-14-8-1-4-10(5-2-8)22(16,17)18/h1-7H,13H2,(H,16,17,18)(H,19,20,21)
InChIKey
DCYBHNIOTZBCFS-UHFFFAOYSA-N
Compound name
2-amino-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

24890
Patents

357.00894 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.016216 176.0
[M+Na]+ 379.998158 183.3
[M-H]- 356.001664 181.7
[M+NH4]+ 375.042763 187.2
[M+K]+ 395.972098 177.9
[M+H-H2O]+ 340.006200 167.8
[M+HCOO]- 402.007141 190.8
[M+CH3COO]- 416.022791 212.0
[M+Na-2H]- 377.983606 182.4
[M]+ 357.00839142 178.3
[M]- 357.00948858 178.3
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