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
3
Annotation Hits

5
References

18818
Patents

357.00894 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.01622 175.9
[M+Na]+ 379.99816 183.9
[M+NH4]+ 375.04276 180.1
[M+K]+ 395.97210 178.1
[M-H]- 356.00166 177.2
[M+Na-2H]- 377.98361 181.4
[M]+ 357.00839 177.9
[M]- 357.00949 177.9
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