CID 3020931

5-((4-amino-2-chlorophenyl)azo)salicylic acid

Structural Information

Molecular Formula

C₁₃H₁₀ClN₃O₃

SMILES

C1=CC(=C(C=C1N)Cl)N=NC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C13H10ClN3O3/c14-10-5-7(15)1-3-11(10)17-16-8-2-4-12(18)9(6-8)13(19)20/h1-6,18H,15H2,(H,19,20)

InChIKey

GMBLZWHNZWDEEJ-UHFFFAOYSA-N

Compound name

5-[(4-amino-2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.04108 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.048356	162.7
[M+Na]+	314.030298	171.7
[M-H]-	290.033804	169.9
[M+NH4]+	309.074903	178.1
[M+K]+	330.004238	167.2
[M+H-H2O]+	274.038340	155.7
[M+HCOO]-	336.039281	185.3
[M+CH3COO]-	350.054931	207.1
[M+Na-2H]-	312.015746	166.7
[M]+	291.04053142	164.4
[M]-	291.04162858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.