CID 13148955

Ethyl 2-(2,2,2-trifluoroethoxy)acetate

Structural Information

Molecular Formula

C₆H₉F₃O₃

SMILES

CCOC(=O)COCC(F)(F)F

InChI

InChI=1S/C6H9F3O3/c1-2-12-5(10)3-11-4-6(7,8)9/h2-4H2,1H3

InChIKey

GRRZJRBDLWWIJU-UHFFFAOYSA-N

Compound name

ethyl 2-(2,2,2-trifluoroethoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 186.05038 Da
Monoisotopic Mass: 1.5
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]+	187.05766	142.8
[M+Na]+	209.03960	149.1
[M+NH4]+	204.08420	146.9
[M+K]+	225.01354	145.6
[M-H]-	185.04310	136.3
[M+Na-2H]-	207.02505	143.3
[M]+	186.04983	141.3
[M]-	186.05093	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe