CID 55267725

Ethyl 2,2,2-trifluoroethanecarboximidate

Structural Information

Molecular Formula

SMILES

CCOC(=N)C(F)(F)F

InChI

InChI=1S/C4H6F3NO/c1-2-9-3(8)4(5,6)7/h8H,2H2,1H3

InChIKey

JJBZUCUJQFWHGK-UHFFFAOYSA-N

Compound name

ethyl 2,2,2-trifluoroethanimidate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 141.04015 Da
Monoisotopic Mass: 1.7
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]+	142.04743	130.4
[M+Na]+	164.02937	136.8
[M+NH4]+	159.07397	135.5
[M+K]+	180.00331	133.3
[M-H]-	140.03287	125.2
[M+Na-2H]-	162.01482	132.1
[M]+	141.03960	129.3
[M]-	141.04070	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe