CID 4461900

Acetamide, n-(2,3,4-trichlorophenyl)-

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: 4
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	144.7
[M+Na]+	259.94071	159.3
[M+NH4]+	254.98531	153.6
[M+K]+	275.91465	151.6
[M-H]-	235.94421	147.0
[M+Na-2H]-	257.92616	151.5
[M]+	236.95094	148.3
[M]-	236.95204	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe