CID 2392342

34162-22-6

Structural Information

Molecular Formula

C₁₀H₁₀Cl₃NO

SMILES

C1=CC(=C(C=C1Cl)Cl)CCNC(=O)CCl

InChI

InChI=1S/C10H10Cl3NO/c11-6-10(15)14-4-3-7-1-2-8(12)5-9(7)13/h1-2,5H,3-4,6H2,(H,14,15)

InChIKey

NZTSGBWDNNYGNA-UHFFFAOYSA-N

Compound name

2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 264.9828 Da
Monoisotopic Mass: 3.4
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]+	265.990076	153.3
[M+Na]+	287.972018	162.4
[M-H]-	263.975524	155.2
[M+NH4]+	283.016623	171.2
[M+K]+	303.945958	156.1
[M+H-H2O]+	247.980060	149.9
[M+HCOO]-	309.981001	162.8
[M+CH3COO]-	323.996651	196.4
[M+Na-2H]-	285.957466	156.1
[M]+	264.98225142	156.7
[M]-	264.98334858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe