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
3
Annotation Hits

0
References

193
Patents

257.08005 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.087326 154.8
[M+Na]+ 280.069268 162.1
[M-H]- 256.072774 161.8
[M+NH4]+ 275.113873 170.3
[M+K]+ 296.043208 159.2
[M+H-H2O]+ 240.077310 146.6
[M+HCOO]- 302.078251 181.9
[M+CH3COO]- 316.093901 202.1
[M+Na-2H]- 278.054716 160.1
[M]+ 257.07950142 153.7
[M]- 257.08059858 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