CID 45158932

Ethyl 3-fluoro-2-oxopropanoate

Structural Information

Molecular Formula
C5H7FO3
SMILES
CCOC(=O)C(=O)CF
InChI
InChI=1S/C5H7FO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3
InChIKey
SQZVUWRQYOJFGZ-UHFFFAOYSA-N
Compound name
ethyl 3-fluoro-2-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

134.03792 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.04520 122.8
[M+Na]+ 157.02714 130.6
[M-H]- 133.03064 122.1
[M+NH4]+ 152.07174 144.6
[M+K]+ 173.00108 131.4
[M+H-H2O]+ 117.03518 117.6
[M+HCOO]- 179.03612 145.1
[M+CH3COO]- 193.05177 172.0
[M+Na-2H]- 155.01259 127.5
[M]+ 134.03737 124.1
[M]- 134.03847 124.1
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