CID 100479

Methyl 2,2,2-trichloroacetimidate

Structural Information

Molecular Formula

C₃H₄Cl₃NO

SMILES

COC(=N)C(Cl)(Cl)Cl

InChI

InChI=1S/C3H4Cl3NO/c1-8-2(7)3(4,5)6/h7H,1H3

InChIKey

OGBINJLTBZWRRB-UHFFFAOYSA-N

Compound name

methyl 2,2,2-trichloroethanimidate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 857
Patents: 174.93585 Da
Monoisotopic Mass: 2.1
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]+	175.94313	130.2
[M+Na]+	197.92507	139.3
[M-H]-	173.92857	129.5
[M+NH4]+	192.96967	151.3
[M+K]+	213.89901	135.3
[M+H-H2O]+	157.93311	129.0
[M+HCOO]-	219.93405	138.8
[M+CH3COO]-	233.94970	178.4
[M+Na-2H]-	195.91052	135.9
[M]+	174.93530	131.4
[M]-	174.93640	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe