CID 316905

Allyl 2,2,2-trichloroacetimidate

Structural Information

Molecular Formula

C₅H₆Cl₃NO

SMILES

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

InChI

InChI=1S/C5H6Cl3NO/c1-2-3-10-4(9)5(6,7)8/h2,9H,1,3H2

InChIKey

UJYZRNWTLPBNOR-UHFFFAOYSA-N

Compound name

prop-2-enyl 2,2,2-trichloroethanimidate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 399
Patents: 200.95149 Da
Monoisotopic Mass: 2.7
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]+	201.95877	138.5
[M+Na]+	223.94071	147.1
[M-H]-	199.94421	137.5
[M+NH4]+	218.98531	158.5
[M+K]+	239.91465	142.0
[M+H-H2O]+	183.94875	136.9
[M+HCOO]-	245.94969	146.7
[M+CH3COO]-	259.96534	183.2
[M+Na-2H]-	221.92616	143.1
[M]+	200.95094	139.7
[M]-	200.95204	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe