CID 9744

Ethyl 4-fluoro-3-oxobutanoate

Structural Information

Molecular Formula
C6H9FO3
SMILES
CCOC(=O)CC(=O)CF
InChI
InChI=1S/C6H9FO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3
InChIKey
KQBYNGJTZNCQCO-UHFFFAOYSA-N
Compound name
ethyl 4-fluoro-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

148.05357 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.06085 130.5
[M+Na]+ 171.04279 139.1
[M+NH4]+ 166.08739 136.5
[M+K]+ 187.01673 135.1
[M-H]- 147.04629 127.1
[M+Na-2H]- 169.02824 132.4
[M]+ 148.05302 130.2
[M]- 148.05412 130.2
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