CID 588405

Maybridge1_005870

Structural Information

Molecular Formula

C₁₃H₁₁ClN₂O₂

SMILES

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

InChI

InChI=1S/C13H11ClN2O2/c14-10-6-5-8(7-11(10)15)16-13(18)9-3-1-2-4-12(9)17/h1-7,17H,15H2,(H,16,18)

InChIKey

YWYXXXCBIQVHIE-UHFFFAOYSA-N

Compound name

N-(3-amino-4-chlorophenyl)-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 262.0509 Da
Monoisotopic Mass: 3.2
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]+	263.058176	156.5
[M+Na]+	285.040118	165.0
[M-H]-	261.043624	162.1
[M+NH4]+	280.084723	172.8
[M+K]+	301.014058	159.4
[M+H-H2O]+	245.048160	150.3
[M+HCOO]-	307.049101	176.3
[M+CH3COO]-	321.064751	196.7
[M+Na-2H]-	283.025566	160.5
[M]+	262.05035142	156.0
[M]-	262.05144858	156.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.