CID 3057072

73941-27-2

Structural Information

Molecular Formula

C₄H₆Cl₃NO₂

SMILES

CN(C)OC(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C4H6Cl3NO2/c1-8(2)10-3(9)4(5,6)7/h1-2H3

InChIKey

RAKDKVOEPXLINH-UHFFFAOYSA-N

Compound name

dimethylamino 2,2,2-trichloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.94641 Da
Monoisotopic Mass: 2.2
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]+	205.95369	135.5
[M+Na]+	227.93563	144.5
[M-H]-	203.93913	136.4
[M+NH4]+	222.98023	156.2
[M+K]+	243.90957	142.1
[M+H-H2O]+	187.94367	133.9
[M+HCOO]-	249.94461	144.8
[M+CH3COO]-	263.96026	186.6
[M+Na-2H]-	225.92108	140.4
[M]+	204.94586	140.0
[M]-	204.94696	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.