CID 83815058

3-(fluoromethyl)oxetane-3-carboxylic acid

Structural Information

Molecular Formula
C5H7FO3
SMILES
C1C(CO1)(CF)C(=O)O
InChI
InChI=1S/C5H7FO3/c6-1-5(4(7)8)2-9-3-5/h1-3H2,(H,7,8)
InChIKey
WVQIOKGYJAEVMH-UHFFFAOYSA-N
Compound name
3-(fluoromethyl)oxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.03792 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.04520 128.2
[M+Na]+ 157.02714 132.9
[M+NH4]+ 152.07174 132.4
[M+K]+ 173.00108 129.6
[M-H]- 133.03064 124.9
[M+Na-2H]- 155.01259 129.9
[M]+ 134.03737 126.6
[M]- 134.03847 126.6
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.