CID 131153

5-fluorolevulinic acid

Structural Information

Molecular Formula
C5H7FO3
SMILES
C(CC(=O)O)C(=O)CF
InChI
InChI=1S/C5H7FO3/c6-3-4(7)1-2-5(8)9/h1-3H2,(H,8,9)
InChIKey
MBVLGMJBSFUHKW-UHFFFAOYSA-N
Compound name
5-fluoro-4-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

69
Patents

134.03792 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.04520 123.6
[M+Na]+ 157.02714 130.9
[M-H]- 133.03064 121.3
[M+NH4]+ 152.07174 144.5
[M+K]+ 173.00108 130.7
[M+H-H2O]+ 117.03518 118.5
[M+HCOO]- 179.03612 144.3
[M+CH3COO]- 193.05177 170.0
[M+Na-2H]- 155.01259 127.6
[M]+ 134.03737 123.0
[M]- 134.03847 123.0
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