CID 2774408

110193-60-7

Structural Information

Molecular Formula
C11H9F3O3
SMILES
CCOC(=O)C(=O)C1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C11H9F3O3/c1-2-17-10(16)9(15)7-4-3-5-8(6-7)11(12,13)14/h3-6H,2H2,1H3
InChIKey
OYMTUYSGHGBXRS-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-2-[3-(trifluoromethyl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

246.05038 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.057656 147.7
[M+Na]+ 269.039598 155.9
[M-H]- 245.043104 147.7
[M+NH4]+ 264.084203 165.0
[M+K]+ 285.013538 154.0
[M+H-H2O]+ 229.047640 139.6
[M+HCOO]- 291.048581 166.0
[M+CH3COO]- 305.064231 191.7
[M+Na-2H]- 267.025046 150.8
[M]+ 246.04983142 146.2
[M]- 246.05092858 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe