CID 2758867

26717-84-0

Structural Information

Molecular Formula

C₇H₉F₃O₃

SMILES

CCOC(=O)C=C(C(F)(F)F)OC

InChI

InChI=1S/C7H9F3O3/c1-3-13-6(11)4-5(12-2)7(8,9)10/h4H,3H2,1-2H3

InChIKey

WLLCYFXBJYFXQQ-UHFFFAOYSA-N

Compound name

ethyl 4,4,4-trifluoro-3-methoxybut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 198.05038 Da
Monoisotopic Mass: 1.6
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]+	199.05766	146.6
[M+Na]+	221.03960	152.5
[M+NH4]+	216.08420	150.2
[M+K]+	237.01354	149.4
[M-H]-	197.04310	139.7
[M+Na-2H]-	219.02505	146.4
[M]+	198.04983	144.9
[M]-	198.05093	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe