CID 2737236

Ethyl 2-(trifluoromethyl)phenylacetate

Structural Information

Molecular Formula

C₁₁H₁₁F₃O₂

SMILES

CCOC(=O)CC1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C11H11F3O2/c1-2-16-10(15)7-8-5-3-4-6-9(8)11(12,13)14/h3-6H,2,7H2,1H3

InChIKey

OWPVWCWCZGEPGF-UHFFFAOYSA-N

Compound name

ethyl 2-[2-(trifluoromethyl)phenyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 232.07112 Da
Monoisotopic Mass: 3.0
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]+	233.07840	146.6
[M+Na]+	255.06034	154.8
[M-H]-	231.06384	146.4
[M+NH4]+	250.10494	164.7
[M+K]+	271.03428	152.5
[M+H-H2O]+	215.06838	138.4
[M+HCOO]-	277.06932	165.4
[M+CH3COO]-	291.08497	189.7
[M+Na-2H]-	253.04579	150.7
[M]+	232.07057	144.9
[M]-	232.07167	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe