CID 88918

21461-12-1

Structural Information

Molecular Formula

C₁₃H₉ClN₂O₃

SMILES

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

InChI

InChI=1S/C13H9ClN2O3/c14-8-1-3-9(4-2-8)15-16-10-5-6-12(17)11(7-10)13(18)19/h1-7,17H,(H,18,19)

InChIKey

ZCRDPWZTENZVQN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 276.03018 Da
Monoisotopic Mass: 4.9
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]+	277.037456	157.5
[M+Na]+	299.019398	166.6
[M-H]-	275.022904	165.0
[M+NH4]+	294.064003	174.0
[M+K]+	314.993338	162.2
[M+H-H2O]+	259.027440	150.7
[M+HCOO]-	321.028381	179.8
[M+CH3COO]-	335.044031	201.0
[M+Na-2H]-	297.004846	163.1
[M]+	276.02963142	160.6
[M]-	276.03072858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe