CID 155978448

4-fluorobicyclo[2.1.1]hexane-2-carboxylic acid

Structural Information

Molecular Formula
C7H9FO2
SMILES
C1C2CC1(CC2C(=O)O)F
InChI
InChI=1S/C7H9FO2/c8-7-1-4(2-7)5(3-7)6(9)10/h4-5H,1-3H2,(H,9,10)
InChIKey
DUEPHXZJPINWLE-UHFFFAOYSA-N
Compound name
4-fluorobicyclo[2.1.1]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

144.05865 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.06593 135.9
[M+Na]+ 167.04787 142.8
[M-H]- 143.05137 135.2
[M+NH4]+ 162.09247 159.2
[M+K]+ 183.02181 143.5
[M+H-H2O]+ 127.05591 129.6
[M+HCOO]- 189.05685 151.9
[M+CH3COO]- 203.07250 177.4
[M+Na-2H]- 165.03332 141.9
[M]+ 144.05810 146.2
[M]- 144.05920 146.2
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