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 134.3
[M+Na]+ 181.06353 142.2
[M-H]- 157.06703 134.7
[M+NH4]+ 176.10813 163.1
[M+K]+ 197.03747 140.0
[M+H-H2O]+ 141.07157 130.8
[M+HCOO]- 203.07251 152.9
[M+CH3COO]- 217.08816 172.0
[M+Na-2H]- 179.04898 139.3
[M]+ 158.07376 130.9
[M]- 158.07486 130.9
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