CID 135397114

5-fluorobicyclo[3.1.1]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C8H11FO2
SMILES
C1CC2(CC(C1)(C2)F)C(=O)O
InChI
InChI=1S/C8H11FO2/c9-8-3-1-2-7(4-8,5-8)6(10)11/h1-5H2,(H,10,11)
InChIKey
MDYMHTVRUFSIJA-UHFFFAOYSA-N
Compound name
5-fluorobicyclo[3.1.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 145.2
[M+Na]+ 181.063528 150.8
[M-H]- 157.067034 142.2
[M+NH4]+ 176.108133 166.6
[M+K]+ 197.037468 151.4
[M+H-H2O]+ 141.071570 137.2
[M+HCOO]- 203.072511 156.1
[M+CH3COO]- 217.088161 180.7
[M+Na-2H]- 179.048976 155.3
[M]+ 158.07376142 153.5
[M]- 158.07485858 153.5
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

No patent data available for this compound.