CID 146049625

2-fluorobicyclo[3.1.0]hexane-6-carboxylic acid

Structural Information

Molecular Formula
C7H9FO2
SMILES
C1CC(C2C1C2C(=O)O)F
InChI
InChI=1S/C7H9FO2/c8-4-2-1-3-5(4)6(3)7(9)10/h3-6H,1-2H2,(H,9,10)
InChIKey
COKIEMGZJYDYBS-UHFFFAOYSA-N
Compound name
2-fluorobicyclo[3.1.0]hexane-6-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 124.5
[M+Na]+ 167.047868 135.0
[M-H]- 143.051374 127.7
[M+NH4]+ 162.092473 143.5
[M+K]+ 183.021808 131.6
[M+H-H2O]+ 127.055910 119.4
[M+HCOO]- 189.056851 144.3
[M+CH3COO]- 203.072501 176.2
[M+Na-2H]- 165.033316 128.3
[M]+ 144.05810142 124.8
[M]- 144.05919858 124.8
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