CID 44871412

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

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NO₂

SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H11Cl2NO2/c1-19-13-7-2-9(8-12(13)16)14(18)17-11-5-3-10(15)4-6-11/h2-8H,1H3,(H,17,18)

InChIKey

SOJDMLSBDXPHLL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.0167 Da
Monoisotopic Mass: 4.1
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]+	296.023976	161.7
[M+Na]+	318.005918	171.5
[M-H]-	294.009424	168.3
[M+NH4]+	313.050523	178.4
[M+K]+	333.979858	165.5
[M+H-H2O]+	278.013960	156.0
[M+HCOO]-	340.014901	177.2
[M+CH3COO]-	354.030551	201.9
[M+Na-2H]-	315.991366	165.6
[M]+	295.01615142	166.4
[M]-	295.01724858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.