CID 81343

Benzoic acid, 4-[(4-aminophenyl)azo]-

Structural Information

Molecular Formula
C13H11N3O2
SMILES
C1=CC(=CC=C1C(=O)O)N=NC2=CC=C(C=C2)N
InChI
InChI=1S/C13H11N3O2/c14-10-3-7-12(8-4-10)16-15-11-5-1-9(2-6-11)13(17)18/h1-8H,14H2,(H,17,18)
InChIKey
KJNBDJZDRNLJJG-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

67
Patents

241.08513 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.092406 151.5
[M+Na]+ 264.074348 158.4
[M-H]- 240.077854 159.5
[M+NH4]+ 259.118953 168.2
[M+K]+ 280.048288 155.7
[M+H-H2O]+ 224.082390 143.1
[M+HCOO]- 286.083331 179.9
[M+CH3COO]- 300.098981 200.9
[M+Na-2H]- 262.059796 158.0
[M]+ 241.08458142 150.4
[M]- 241.08567858 150.4
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