CID 94920

2,4'-dichloroacetanilide

Structural Information

Molecular Formula

C₈H₇Cl₂NO

SMILES

C1=CC(=CC=C1NC(=O)CCl)Cl

InChI

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

InChIKey

UDRCRMHFHHTVSN-UHFFFAOYSA-N

Compound name

2-chloro-N-(4-chlorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 282
Patents: 202.99046 Da
Monoisotopic Mass: 2.3
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]+	203.99774	138.1
[M+Na]+	225.97968	147.3
[M-H]-	201.98318	141.3
[M+NH4]+	221.02428	158.3
[M+K]+	241.95362	142.3
[M+H-H2O]+	185.98772	134.2
[M+HCOO]-	247.98866	153.8
[M+CH3COO]-	262.00431	184.1
[M+Na-2H]-	223.96513	143.9
[M]+	202.98991	140.4
[M]-	202.99101	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe