CID 120230

399-87-1

Structural Information

Molecular Formula
C4H5FO3
SMILES
COC(=O)C(=O)CF
InChI
InChI=1S/C4H5FO3/c1-8-4(7)3(6)2-5/h2H2,1H3
InChIKey
IZJWUPAJEFJGHC-UHFFFAOYSA-N
Compound name
methyl 3-fluoro-2-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

120.02227 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.02955 118.0
[M+Na]+ 143.01149 126.3
[M-H]- 119.01499 117.5
[M+NH4]+ 138.05609 140.4
[M+K]+ 158.98543 127.3
[M+H-H2O]+ 103.01953 113.0
[M+HCOO]- 165.02047 140.6
[M+CH3COO]- 179.03612 169.0
[M+Na-2H]- 140.99694 123.2
[M]+ 120.02172 118.9
[M]- 120.02282 118.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe