CID 4461900

2',3',4'-trichloroacetanilide

Structural Information

Molecular Formula

C₈H₆Cl₃NO

SMILES

CC(=O)NC1=C(C(=C(C=C1)Cl)Cl)Cl

InChI

InChI=1S/C8H6Cl3NO/c1-4(13)12-6-3-2-5(9)7(10)8(6)11/h2-3H,1H3,(H,12,13)

InChIKey

LOQQPVJIFHAQCW-UHFFFAOYSA-N

Compound name

N-(2,3,4-trichlorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 236.95149 Da
Monoisotopic Mass: 2.9
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]+	237.95877	143.8
[M+Na]+	259.94071	154.5
[M-H]-	235.94421	146.3
[M+NH4]+	254.98531	163.0
[M+K]+	275.91465	148.8
[M+H-H2O]+	219.94875	141.1
[M+HCOO]-	281.94969	153.9
[M+CH3COO]-	295.96534	191.8
[M+Na-2H]-	257.92616	147.0
[M]+	236.95094	146.8
[M]-	236.95204	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe