CID 32018

2-chloro-n-(2,4,5-trichlorophenyl)acetamide

Structural Information

Molecular Formula

C₈H₅Cl₄NO

SMILES

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

InChI

InChI=1S/C8H5Cl4NO/c9-3-8(14)13-7-2-5(11)4(10)1-6(7)12/h1-2H,3H2,(H,13,14)

InChIKey

GQRWKOPRUXSOBA-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,4,5-trichlorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 270.91254 Da
Monoisotopic Mass: 3.6
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]+	271.91982	153.5
[M+Na]+	293.90176	167.6
[M+NH4]+	288.94636	161.8
[M+K]+	309.87570	159.5
[M-H]-	269.90526	155.1
[M+Na-2H]-	291.88721	159.6
[M]+	270.91199	157.0
[M]-	270.91309	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe