CID 715878

N-(3-acetylphenyl)-2,4-dichlorobenzamide

Structural Information

Molecular Formula

C₁₅H₁₁Cl₂NO₂

SMILES

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

InChI

InChI=1S/C15H11Cl2NO2/c1-9(19)10-3-2-4-12(7-10)18-15(20)13-6-5-11(16)8-14(13)17/h2-8H,1H3,(H,18,20)

InChIKey

WYENSOXGXSFVCY-UHFFFAOYSA-N

Compound name

N-(3-acetylphenyl)-2,4-dichlorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 307.0167 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]+	308.023976	164.8
[M+Na]+	330.005918	174.1
[M-H]-	306.009424	171.3
[M+NH4]+	325.050523	180.9
[M+K]+	345.979858	167.8
[M+H-H2O]+	290.013960	159.2
[M+HCOO]-	352.014901	179.2
[M+CH3COO]-	366.030551	204.9
[M+Na-2H]-	327.991366	167.0
[M]+	307.01615142	168.6
[M]-	307.01724858	168.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.