CID 12947689

Methyl 3-fluoro-3-methyl-2-oxobutanoate

Structural Information

Molecular Formula
C6H9FO3
SMILES
CC(C)(C(=O)C(=O)OC)F
InChI
InChI=1S/C6H9FO3/c1-6(2,7)4(8)5(9)10-3/h1-3H3
InChIKey
MHFKHBUHXAXQNF-UHFFFAOYSA-N
Compound name
methyl 3-fluoro-3-methyl-2-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.05357 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.060846 126.3
[M+Na]+ 171.042788 134.2
[M-H]- 147.046294 125.8
[M+NH4]+ 166.087393 147.7
[M+K]+ 187.016728 135.2
[M+H-H2O]+ 131.050830 121.7
[M+HCOO]- 193.051771 146.7
[M+CH3COO]- 207.067421 175.3
[M+Na-2H]- 169.028236 131.3
[M]+ 148.05302142 127.5
[M]- 148.05411858 127.5
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

No patent data available for this compound.