CID 89814304

3-fluoro-3-methylcyclobutanecarboxylic acid

Structural Information

Molecular Formula
C6H9FO2
SMILES
CC1(CC(C1)C(=O)O)F
InChI
InChI=1S/C6H9FO2/c1-6(7)2-4(3-6)5(8)9/h4H,2-3H2,1H3,(H,8,9)
InChIKey
ZABOQQDLGWHBIE-UHFFFAOYSA-N
Compound name
3-fluoro-3-methylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

132.05865 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06593 129.7
[M+Na]+ 155.04787 134.7
[M+NH4]+ 150.09247 134.4
[M+K]+ 171.02181 130.5
[M-H]- 131.05137 125.7
[M+Na-2H]- 153.03332 131.8
[M]+ 132.05810 127.9
[M]- 132.05920 127.9
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

patents stripe