CID 24017273

3-chloro-n-(3-chloro-4-methylphenyl)-4-methoxybenzamide

Structural Information

Molecular Formula

C₁₅H₁₃Cl₂NO₂

SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)Cl)Cl

InChI

InChI=1S/C15H13Cl2NO2/c1-9-3-5-11(8-12(9)16)18-15(19)10-4-6-14(20-2)13(17)7-10/h3-8H,1-2H3,(H,18,19)

InChIKey

CPCAFKITQYJJNX-UHFFFAOYSA-N

Compound name

3-chloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.03235 Da
Monoisotopic Mass: 4.5
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]+	310.039626	166.1
[M+Na]+	332.021568	176.3
[M-H]-	308.025074	172.8
[M+NH4]+	327.066173	182.6
[M+K]+	347.995508	170.2
[M+H-H2O]+	292.029610	160.4
[M+HCOO]-	354.030551	181.2
[M+CH3COO]-	368.046201	206.0
[M+Na-2H]-	330.007016	168.7
[M]+	309.03180142	171.5
[M]-	309.03289858	171.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.