CID 520463

Acetanilide, 2,2,2,3'-tetrachloro-

Structural Information

Molecular Formula

C₈H₅Cl₄NO

SMILES

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

InChI

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

InChIKey

ZCNFWVGKVHRKCD-UHFFFAOYSA-N

Compound name

2,2,2-trichloro-N-(3-chlorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 270.91254 Da
Monoisotopic Mass: 4.0
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	152.6
[M+Na]+	293.90176	161.4
[M-H]-	269.90526	153.2
[M+NH4]+	288.94636	169.5
[M+K]+	309.87570	155.6
[M+H-H2O]+	253.90980	150.0
[M+HCOO]-	315.91074	155.5
[M+CH3COO]-	329.92639	195.3
[M+Na-2H]-	291.88721	156.1
[M]+	270.91199	153.5
[M]-	270.91309	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe