CID 66862

Benzoic acid, 5-[(4-aminophenyl)azo]-2-hydroxy-

Structural Information

Molecular Formula
C13H11N3O3
SMILES
C1=CC(=CC=C1N)N=NC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C13H11N3O3/c14-8-1-3-9(4-2-8)15-16-10-5-6-12(17)11(7-10)13(18)19/h1-7,17H,14H2,(H,18,19)
InChIKey
DQMAUXIQILXETR-UHFFFAOYSA-N
Compound name
5-[(4-aminophenyl)diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

205
Patents

257.08005 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08733 154.8
[M+Na]+ 280.06927 162.1
[M-H]- 256.07277 161.8
[M+NH4]+ 275.11387 170.3
[M+K]+ 296.04321 159.2
[M+H-H2O]+ 240.07731 146.6
[M+HCOO]- 302.07825 181.9
[M+CH3COO]- 316.09390 202.1
[M+Na-2H]- 278.05472 160.1
[M]+ 257.07950 153.7
[M]- 257.08060 153.7
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