CID 81346948

2-cyclobutyl-2-fluoroacetic acid

Structural Information

Molecular Formula
C6H9FO2
SMILES
C1CC(C1)C(C(=O)O)F
InChI
InChI=1S/C6H9FO2/c7-5(6(8)9)4-2-1-3-4/h4-5H,1-3H2,(H,8,9)
InChIKey
XKGQKFCBGVZWMG-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

132.05865 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06593 125.6
[M+Na]+ 155.04787 130.4
[M-H]- 131.05137 126.4
[M+NH4]+ 150.09247 139.9
[M+K]+ 171.02181 133.0
[M+H-H2O]+ 115.05591 115.0
[M+HCOO]- 177.05685 143.8
[M+CH3COO]- 191.07250 173.6
[M+Na-2H]- 153.03332 128.7
[M]+ 132.05810 130.4
[M]- 132.05920 130.4
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