CID 83478822

4-fluorooxolane-3-carboxylic acid

Structural Information

Molecular Formula
C5H7FO3
SMILES
C1C(C(CO1)F)C(=O)O
InChI
InChI=1S/C5H7FO3/c6-4-2-9-1-3(4)5(7)8/h3-4H,1-2H2,(H,7,8)
InChIKey
SGMXGNVDKCRUNA-UHFFFAOYSA-N
Compound name
4-fluorooxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.03792 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.045196 122.5
[M+Na]+ 157.027138 129.9
[M-H]- 133.030644 124.1
[M+NH4]+ 152.071743 144.0
[M+K]+ 173.001078 130.5
[M+H-H2O]+ 117.035180 117.4
[M+HCOO]- 179.036121 142.5
[M+CH3COO]- 193.051771 167.2
[M+Na-2H]- 155.012586 126.7
[M]+ 134.03737142 119.7
[M]- 134.03846858 119.7
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.