CID 137639

2-chloro-n-(3-chlorophenyl)acetamide

Structural Information

Molecular Formula

C₈H₇Cl₂NO

SMILES

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

InChI

InChI=1S/C8H7Cl2NO/c9-5-8(12)11-7-3-1-2-6(10)4-7/h1-4H,5H2,(H,11,12)

InChIKey

KNVBYGNINQITJC-UHFFFAOYSA-N

Compound name

2-chloro-N-(3-chlorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 92
Patents: 202.99046 Da
Monoisotopic Mass: 2.8
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]+	203.997736	138.1
[M+Na]+	225.979678	147.3
[M-H]-	201.983184	141.3
[M+NH4]+	221.024283	158.3
[M+K]+	241.953618	142.3
[M+H-H2O]+	185.987720	134.2
[M+HCOO]-	247.988661	153.8
[M+CH3COO]-	262.004311	184.1
[M+Na-2H]-	223.965126	143.9
[M]+	202.98991142	140.4
[M]-	202.99100858	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe