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

18
Patents

158.07431 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.081586 134.3
[M+Na]+ 181.063528 142.2
[M-H]- 157.067034 134.7
[M+NH4]+ 176.108133 163.1
[M+K]+ 197.037468 140.0
[M+H-H2O]+ 141.071570 130.8
[M+HCOO]- 203.072511 152.9
[M+CH3COO]- 217.088161 172.0
[M+Na-2H]- 179.048976 139.3
[M]+ 158.07376142 130.9
[M]- 158.07485858 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