CID 21634308

4-fluorobicyclo[2.2.1]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C8H11FO2
SMILES
C1CC2(CCC1(C2)C(=O)O)F
InChI
InChI=1S/C8H11FO2/c9-8-3-1-7(5-8,2-4-8)6(10)11/h1-5H2,(H,10,11)
InChIKey
SCBFOJOUNIPAOX-UHFFFAOYSA-N
Compound name
4-fluorobicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

158.07431 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.08159 134.5
[M+Na]+ 181.06353 141.1
[M+NH4]+ 176.10813 145.4
[M+K]+ 197.03747 136.4
[M-H]- 157.06703 132.1
[M+Na-2H]- 179.04898 137.5
[M]+ 158.07376 134.6
[M]- 158.07486 134.6
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