CID 18690690

3-fluorocyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C5H7FO2
SMILES
C1C(CC1F)C(=O)O
InChI
InChI=1S/C5H7FO2/c6-4-1-3(2-4)5(7)8/h3-4H,1-2H2,(H,7,8)
InChIKey
LQXHCYIDZUPZNK-UHFFFAOYSA-N
Compound name
3-fluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

305
Patents

118.04301 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05029 118.8
[M+Na]+ 141.03223 125.2
[M-H]- 117.03573 120.1
[M+NH4]+ 136.07683 134.2
[M+K]+ 157.00617 127.7
[M+H-H2O]+ 101.04027 108.8
[M+HCOO]- 163.04121 138.4
[M+CH3COO]- 177.05686 171.0
[M+Na-2H]- 139.01768 123.2
[M]+ 118.04246 124.3
[M]- 118.04356 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