CID 5274065

Akos008973192

Structural Information

Molecular Formula

C₁₄H₁₂ClNO₂

SMILES

CC1=CC(=C(C=C1)O)C(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H12ClNO2/c1-9-5-6-13(17)12(7-9)14(18)16-11-4-2-3-10(15)8-11/h2-8,17H,1H3,(H,16,18)

InChIKey

IVBZGZRNFYWWDF-UHFFFAOYSA-N

Compound name

N-(3-chlorophenyl)-2-hydroxy-5-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 261.05566 Da
Monoisotopic Mass: 4.3
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]+	262.062936	156.0
[M+Na]+	284.044878	165.0
[M-H]-	260.048384	162.0
[M+NH4]+	279.089483	173.0
[M+K]+	300.018818	159.4
[M+H-H2O]+	244.052920	150.0
[M+HCOO]-	306.053861	175.1
[M+CH3COO]-	320.069511	195.1
[M+Na-2H]-	282.030326	160.2
[M]+	261.05511142	157.5
[M]-	261.05620858	157.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.