CID 802524

3-chloro-n-(5-chloro-2-methoxyphenyl)-4-methoxybenzamide

Structural Information

Molecular Formula

C₁₅H₁₃Cl₂NO₃

SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C15H13Cl2NO3/c1-20-13-5-3-9(7-11(13)17)15(19)18-12-8-10(16)4-6-14(12)21-2/h3-8H,1-2H3,(H,18,19)

InChIKey

OKKKNSFJLFEUTG-UHFFFAOYSA-N

Compound name

3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 325.02725 Da
Monoisotopic Mass: 4.0
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]+	326.034526	168.6
[M+Na]+	348.016468	178.7
[M-H]-	324.019974	175.4
[M+NH4]+	343.061073	184.4
[M+K]+	363.990408	173.3
[M+H-H2O]+	308.024510	162.8
[M+HCOO]-	370.025451	184.0
[M+CH3COO]-	384.041101	208.1
[M+Na-2H]-	346.001916	171.3
[M]+	325.02670142	175.5
[M]-	325.02779858	175.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.