CID 115870

63937-20-2

Structural Information

Molecular Formula

C₄H₄Cl₃NO₂

SMILES

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

InChI

InChI=1S/C4H4Cl3NO2/c1-2(9)8-3(10)4(5,6)7/h1H3,(H,8,9,10)

InChIKey

OWRBSEOYAHISRT-UHFFFAOYSA-N

Compound name

N-acetyl-2,2,2-trichloroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 202.93076 Da
Monoisotopic Mass: 1.2
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]+	203.93804	135.0
[M+Na]+	225.91998	143.9
[M-H]-	201.92348	134.6
[M+NH4]+	220.96458	155.0
[M+K]+	241.89392	140.0
[M+H-H2O]+	185.92802	133.8
[M+HCOO]-	247.92896	143.0
[M+CH3COO]-	261.94461	182.4
[M+Na-2H]-	223.90543	139.3
[M]+	202.93021	136.8
[M]-	202.93131	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe