CID 10219521

Methyl 2-fluoro-3-oxopentanoate

Structural Information

Molecular Formula
C6H9FO3
SMILES
CCC(=O)C(C(=O)OC)F
InChI
InChI=1S/C6H9FO3/c1-3-4(8)5(7)6(9)10-2/h5H,3H2,1-2H3
InChIKey
ZHQHSDROMAJDFS-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-3-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

51
Patents

148.05357 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.06085 130.6
[M+Na]+ 171.04279 138.8
[M+NH4]+ 166.08739 136.5
[M+K]+ 187.01673 135.7
[M-H]- 147.04629 127.0
[M+Na-2H]- 169.02824 132.1
[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