CID 779696

2,4-dichloro-n-(4-methoxybenzyl)benzamide

Structural Information

Molecular Formula

C₁₅H₁₃Cl₂NO₂

SMILES

COC1=CC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H13Cl2NO2/c1-20-12-5-2-10(3-6-12)9-18-15(19)13-7-4-11(16)8-14(13)17/h2-8H,9H2,1H3,(H,18,19)

InChIKey

PKXRGZHLZGSMRP-UHFFFAOYSA-N

Compound name

2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.03235 Da
Monoisotopic Mass: 3.9
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	166.4
[M+Na]+	332.021568	175.7
[M-H]-	308.025074	172.7
[M+NH4]+	327.066173	182.5
[M+K]+	347.995508	169.5
[M+H-H2O]+	292.029610	160.4
[M+HCOO]-	354.030551	181.5
[M+CH3COO]-	368.046201	204.8
[M+Na-2H]-	330.007016	169.6
[M]+	309.03180142	171.4
[M]-	309.03289858	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.