CID 61144

2,2,2-trichloroacetamide

Structural Information

Molecular Formula

C₂H₂Cl₃NO

SMILES

C(=O)(C(Cl)(Cl)Cl)N

InChI

InChI=1S/C2H2Cl3NO/c3-2(4,5)1(6)7/h(H2,6,7)

InChIKey

UPQQXPKAYZYUKO-UHFFFAOYSA-N

Compound name

2,2,2-trichloroacetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 230
References: 15193
Patents: 160.9202 Da
Monoisotopic Mass: 1.0
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]+	161.92748	125.7
[M+Na]+	183.90942	135.1
[M-H]-	159.91292	124.6
[M+NH4]+	178.95402	146.9
[M+K]+	199.88336	131.0
[M+H-H2O]+	143.91746	124.7
[M+HCOO]-	205.91840	134.0
[M+CH3COO]-	219.93405	175.5
[M+Na-2H]-	181.89487	130.9
[M]+	160.91965	125.6
[M]-	160.92075	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.