CID 61392755

Methyl 3,3,3-trifluoropropanimidate hydrochloride

Structural Information

Molecular Formula

SMILES

COC(=N)CC(F)(F)F

InChI

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

InChIKey

MUQYAVYAAIVKOV-UHFFFAOYSA-N

Compound name

methyl 3,3,3-trifluoropropanimidate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 141.04015 Da
Monoisotopic Mass: 1.3
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	122.9
[M+Na]+	164.02937	130.8
[M-H]-	140.03287	119.7
[M+NH4]+	159.07397	144.3
[M+K]+	180.00331	130.5
[M+H-H2O]+	124.03741	116.3
[M+HCOO]-	186.03835	143.1
[M+CH3COO]-	200.05400	175.0
[M+Na-2H]-	162.01482	128.9
[M]+	141.03960	118.3
[M]-	141.04070	118.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.