CID 2737236

81580-50-9

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

71
Patents

232.07112 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.078396 146.6
[M+Na]+ 255.060338 154.8
[M-H]- 231.063844 146.4
[M+NH4]+ 250.104943 164.7
[M+K]+ 271.034278 152.5
[M+H-H2O]+ 215.068380 138.4
[M+HCOO]- 277.069321 165.4
[M+CH3COO]- 291.084971 189.7
[M+Na-2H]- 253.045786 150.7
[M]+ 232.07057142 144.9
[M]- 232.07166858 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe