CID 2774410

73790-06-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

246.05038 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05766 147.7
[M+Na]+ 269.03960 155.9
[M-H]- 245.04310 147.7
[M+NH4]+ 264.08420 165.0
[M+K]+ 285.01354 154.0
[M+H-H2O]+ 229.04764 139.6
[M+HCOO]- 291.04858 166.0
[M+CH3COO]- 305.06423 191.7
[M+Na-2H]- 267.02505 150.8
[M]+ 246.04983 146.2
[M]- 246.05093 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