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 121.4
[M+Na]+ 157.02714 127.6
[M-H]- 133.03064 123.3
[M+NH4]+ 152.07174 136.5
[M+K]+ 173.00108 131.5
[M+H-H2O]+ 117.03518 112.2
[M+HCOO]- 179.03612 140.3
[M+CH3COO]- 193.05177 171.3
[M+Na-2H]- 155.01259 128.6
[M]+ 134.03737 128.9
[M]- 134.03847 128.9
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.