CID 531963

96749-32-5

Structural Information

Molecular Formula

C₁₄H₁₂ClNO

SMILES

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

InChI

InChI=1S/C14H12ClNO/c1-10-4-2-5-11(8-10)14(17)16-13-7-3-6-12(15)9-13/h2-9H,1H3,(H,16,17)

InChIKey

PXBPMCNEAZKAKS-UHFFFAOYSA-N

Compound name

N-(3-chlorophenyl)-3-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 10
Patents: 245.06075 Da
Monoisotopic Mass: 3.7
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]+	246.06803	153.0
[M+Na]+	268.04997	161.6
[M-H]-	244.05347	159.9
[M+NH4]+	263.09457	171.0
[M+K]+	284.02391	156.1
[M+H-H2O]+	228.05801	146.6
[M+HCOO]-	290.05895	173.3
[M+CH3COO]-	304.07460	194.3
[M+Na-2H]-	266.03542	158.3
[M]+	245.06020	154.5
[M]-	245.06130	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe