CID 105427128

2-fluorocyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C5H7FO2
SMILES
C1CC(C1C(=O)O)F
InChI
InChI=1S/C5H7FO2/c6-4-2-1-3(4)5(7)8/h3-4H,1-2H2,(H,7,8)
InChIKey
LYQXOYIXLKILCQ-UHFFFAOYSA-N
Compound name
2-fluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

118.04301 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.050286 118.8
[M+Na]+ 141.032228 125.2
[M-H]- 117.035734 120.1
[M+NH4]+ 136.076833 134.2
[M+K]+ 157.006168 127.7
[M+H-H2O]+ 101.040270 108.8
[M+HCOO]- 163.041211 138.4
[M+CH3COO]- 177.056861 171.0
[M+Na-2H]- 139.017676 123.2
[M]+ 118.04246142 124.3
[M]- 118.04355858 124.3
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

patents stripe