CID 520644

33560-57-5

Structural Information

Molecular Formula

C₈H₃Cl₆NO

SMILES

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

InChI

InChI=1S/C8H3Cl6NO/c9-3-1-5(11)6(2-4(3)10)15-7(16)8(12,13)14/h1-2H,(H,15,16)

InChIKey

KTEQMHWNTSFTSS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 338.8346 Da
Monoisotopic Mass: 4.8
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]+	339.84188	170.3
[M+Na]+	361.82382	177.9
[M-H]-	337.82732	166.9
[M+NH4]+	356.86842	182.7
[M+K]+	377.79776	173.3
[M+H-H2O]+	321.83186	168.3
[M+HCOO]-	383.83280	162.1
[M+CH3COO]-	397.84845	209.8
[M+Na-2H]-	359.80927	168.3
[M]+	338.83405	167.2
[M]-	338.83515	167.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.