CID 84020541

3-fluorooxetane-3-carboxylic acid

Structural Information

Molecular Formula
C4H5FO3
SMILES
C1C(CO1)(C(=O)O)F
InChI
InChI=1S/C4H5FO3/c5-4(3(6)7)1-8-2-4/h1-2H2,(H,6,7)
InChIKey
FARHFNZDBRSINU-UHFFFAOYSA-N
Compound name
3-fluorooxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 116.6
[M+Na]+ 143.01149 123.2
[M-H]- 119.01499 118.7
[M+NH4]+ 138.05609 132.2
[M+K]+ 158.98543 127.4
[M+H-H2O]+ 103.01953 107.6
[M+HCOO]- 165.02047 135.8
[M+CH3COO]- 179.03612 168.4
[M+Na-2H]- 140.99694 124.4
[M]+ 120.02172 123.7
[M]- 120.02282 123.7
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.