CID 67702

353-12-8

Structural Information

Molecular Formula
C5H9FO3
SMILES
C(COCCF)C(=O)O
InChI
InChI=1S/C5H9FO3/c6-2-4-9-3-1-5(7)8/h1-4H2,(H,7,8)
InChIKey
ANFKGTWWEJMCHJ-UHFFFAOYSA-N
Compound name
3-(2-fluoroethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.05357 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.06085 124.9
[M+Na]+ 159.04279 132.1
[M-H]- 135.04629 122.5
[M+NH4]+ 154.08739 145.9
[M+K]+ 175.01673 132.1
[M+H-H2O]+ 119.05083 119.6
[M+HCOO]- 181.05177 146.4
[M+CH3COO]- 195.06742 170.0
[M+Na-2H]- 157.02824 130.2
[M]+ 136.05302 125.7
[M]- 136.05412 125.7
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

No patent data available for this compound.