CID 79011

Vinyl trifluoroacetate

Structural Information

Molecular Formula

C₄H₃F₃O₂

SMILES

C=COC(=O)C(F)(F)F

InChI

InChI=1S/C4H3F3O2/c1-2-9-3(8)4(5,6)7/h2H,1H2

InChIKey

ZBGRMWIREQJHPK-UHFFFAOYSA-N

Compound name

ethenyl 2,2,2-trifluoroacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 4276
Patents: 140.00851 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]+	141.015786	119.7
[M+Na]+	162.997728	128.8
[M-H]-	139.001234	116.7
[M+NH4]+	158.042333	141.4
[M+K]+	178.971668	128.5
[M+H-H2O]+	123.005770	113.6
[M+HCOO]-	185.006711	139.4
[M+CH3COO]-	199.022361	171.3
[M+Na-2H]-	160.983176	125.7
[M]+	140.00796142	116.7
[M]-	140.00905858	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe