CID 12646284

1479-22-7

Structural Information

Molecular Formula
C11H11FO3
SMILES
CCOC(=O)C(C(=O)C1=CC=CC=C1)F
InChI
InChI=1S/C11H11FO3/c1-2-15-11(14)9(12)10(13)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKey
DTELMTOYSPFNNP-UHFFFAOYSA-N
Compound name
ethyl 2-fluoro-3-oxo-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

210.06923 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07651 143.5
[M+Na]+ 233.05845 149.9
[M-H]- 209.06195 145.6
[M+NH4]+ 228.10305 161.9
[M+K]+ 249.03239 148.9
[M+H-H2O]+ 193.06649 136.5
[M+HCOO]- 255.06743 164.5
[M+CH3COO]- 269.08308 186.3
[M+Na-2H]- 231.04390 146.4
[M]+ 210.06868 144.0
[M]- 210.06978 144.0
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