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	136.9
[M+Na]+	221.03960	144.6
[M-H]-	197.04310	133.4
[M+NH4]+	216.08420	156.3
[M+K]+	237.01354	144.4
[M+H-H2O]+	181.04764	130.1
[M+HCOO]-	243.04858	154.9
[M+CH3COO]-	257.06423	182.5
[M+Na-2H]-	219.02505	140.1
[M]+	198.04983	135.8
[M]-	198.05093	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe