CID 5123420

Ethyl 2,2,2-trichloroacetimidate

Structural Information

Molecular Formula

C₄H₆Cl₃NO

SMILES

CCOC(=N)C(Cl)(Cl)Cl

InChI

InChI=1S/C4H6Cl3NO/c1-2-9-3(8)4(5,6)7/h8H,2H2,1H3

InChIKey

JOSSZRPXOBWRQT-UHFFFAOYSA-N

Compound name

ethyl 2,2,2-trichloroethanimidate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 188.95149 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]+	189.958766	134.8
[M+Na]+	211.940708	143.5
[M-H]-	187.944214	134.0
[M+NH4]+	206.985313	155.4
[M+K]+	227.914648	139.3
[M+H-H2O]+	171.948750	133.3
[M+HCOO]-	233.949691	143.1
[M+CH3COO]-	247.965341	181.3
[M+Na-2H]-	209.926156	140.0
[M]+	188.95094142	136.3
[M]-	188.95203858	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe