CID 91972

Benzenesulfonic acid, 3-(2-(4-amino-3-methylphenyl)diazenyl)-

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

36
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 163.0
[M+Na]+ 314.05697 171.5
[M-H]- 290.06047 171.3
[M+NH4]+ 309.10157 178.5
[M+K]+ 330.03091 167.4
[M+H-H2O]+ 274.06501 154.9
[M+HCOO]- 336.06595 185.7
[M+CH3COO]- 350.08160 206.9
[M+Na-2H]- 312.04242 168.4
[M]+ 291.06720 165.1
[M]- 291.06830 165.1
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