CID 230078

Ethyl 2-fluoro-3-oxobutanoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

368
Patents

148.05357 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.06085 127.5
[M+Na]+ 171.04279 134.7
[M-H]- 147.04629 126.7
[M+NH4]+ 166.08739 148.7
[M+K]+ 187.01673 135.7
[M+H-H2O]+ 131.05083 122.2
[M+HCOO]- 193.05177 148.5
[M+CH3COO]- 207.06742 175.9
[M+Na-2H]- 169.02824 130.4
[M]+ 148.05302 128.5
[M]- 148.05412 128.5
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