CID 11446589

Ethyl 2-(trifluoromethoxy)acetate

Structural Information

Molecular Formula

C₅H₇F₃O₃

SMILES

CCOC(=O)COC(F)(F)F

InChI

InChI=1S/C5H7F3O3/c1-2-10-4(9)3-11-5(6,7)8/h2-3H2,1H3

InChIKey

UVYNDOUWYIODCV-UHFFFAOYSA-N

Compound name

ethyl 2-(trifluoromethoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 172.03473 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]+	173.04201	138.7
[M+Na]+	195.02395	145.2
[M+NH4]+	190.06855	143.0
[M+K]+	210.99789	141.9
[M-H]-	171.02745	132.3
[M+Na-2H]-	193.00940	139.4
[M]+	172.03418	137.3
[M]-	172.03528	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe