CID 2405938

4-chloro-n-(2-chloroacetyl)benzamide

Structural Information

Molecular Formula

C₉H₇Cl₂NO₂

SMILES

C1=CC(=CC=C1C(=O)NC(=O)CCl)Cl

InChI

InChI=1S/C9H7Cl2NO2/c10-5-8(13)12-9(14)6-1-3-7(11)4-2-6/h1-4H,5H2,(H,12,13,14)

InChIKey

MFPAFLUPDLDNJL-UHFFFAOYSA-N

Compound name

4-chloro-N-(2-chloroacetyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 230.98538 Da
Monoisotopic Mass: 2.2
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]+	231.99266	144.6
[M+Na]+	253.97460	157.4
[M+NH4]+	249.01920	152.7
[M+K]+	269.94854	150.9
[M-H]-	229.97810	146.2
[M+Na-2H]-	251.96005	151.0
[M]+	230.98483	147.3
[M]-	230.98593	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe