CID 91972

55994-13-3

Structural Information

Molecular Formula
C13H13N3O3S
SMILES
CC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)N
InChI
InChI=1S/C13H13N3O3S/c1-9-7-11(5-6-13(9)14)16-15-10-3-2-4-12(8-10)20(17,18)19/h2-8H,14H2,1H3,(H,17,18,19)
InChIKey
FBUUCZBKPYYEEE-UHFFFAOYSA-N
Compound name
3-[(4-amino-3-methylphenyl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

291.06775 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.07503 164.0
[M+Na]+ 314.05697 175.3
[M+NH4]+ 309.10157 170.9
[M+K]+ 330.03091 168.0
[M-H]- 290.06047 168.5
[M+Na-2H]- 312.04242 172.0
[M]+ 291.06720 167.2
[M]- 291.06830 167.2
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