CID 17373

Trichloroacetanilide

Structural Information

Molecular Formula

C₈H₆Cl₃NO

SMILES

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

InChI

InChI=1S/C8H6Cl3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h1-5H,(H,12,13)

InChIKey

GUYVJLNKTIYUON-UHFFFAOYSA-N

Compound name

2,2,2-trichloro-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
Patents: 236.95149 Da
Monoisotopic Mass: 2.4
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]+	237.95877	145.5
[M+Na]+	259.94071	154.1
[M-H]-	235.94421	147.6
[M+NH4]+	254.98531	164.1
[M+K]+	275.91465	148.6
[M+H-H2O]+	219.94875	142.4
[M+HCOO]-	281.94969	154.2
[M+CH3COO]-	295.96534	188.2
[M+Na-2H]-	257.92616	151.4
[M]+	236.95094	147.0
[M]-	236.95204	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe