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]+ 145.065926 135.9
[M+Na]+ 167.047868 142.8
[M-H]- 143.051374 135.2
[M+NH4]+ 162.092473 159.2
[M+K]+ 183.021808 143.5
[M+H-H2O]+ 127.055910 129.6
[M+HCOO]- 189.056851 151.9
[M+CH3COO]- 203.072501 177.4
[M+Na-2H]- 165.033316 141.9
[M]+ 144.05810142 146.2
[M]- 144.05919858 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