CID 2758844

Ethyl 3-(4-fluorophenyl)-3-oxopropanoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

542
Patents

210.06923 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07651 142.6
[M+Na]+ 233.05845 150.2
[M-H]- 209.06195 145.0
[M+NH4]+ 228.10305 161.4
[M+K]+ 249.03239 148.7
[M+H-H2O]+ 193.06649 135.7
[M+HCOO]- 255.06743 164.6
[M+CH3COO]- 269.08308 186.5
[M+Na-2H]- 231.04390 146.1
[M]+ 210.06868 144.1
[M]- 210.06978 144.1
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