CID 5274035

Schembl27833867

Structural Information

Molecular Formula

C₁₄H₁₂ClNO₂

SMILES

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

InChI

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

InChIKey

MSHAQXXZCYEDGG-UHFFFAOYSA-N

Compound name

N-(3-chlorophenyl)-2-hydroxy-4-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
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]+	262.06294	156.0
[M+Na]+	284.04488	165.0
[M-H]-	260.04838	162.0
[M+NH4]+	279.08948	173.0
[M+K]+	300.01882	159.4
[M+H-H2O]+	244.05292	150.0
[M+HCOO]-	306.05386	175.1
[M+CH3COO]-	320.06951	195.1
[M+Na-2H]-	282.03033	160.2
[M]+	261.05511	157.5
[M]-	261.05621	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe