CID 170916551

2-fluorobicyclo[2.2.2]octane-2-carboxylic acid

Structural Information

Molecular Formula
C9H13FO2
SMILES
C1CC2CCC1CC2(C(=O)O)F
InChI
InChI=1S/C9H13FO2/c10-9(8(11)12)5-6-1-3-7(9)4-2-6/h6-7H,1-5H2,(H,11,12)
InChIKey
FUZSRPXHQOJIEM-UHFFFAOYSA-N
Compound name
2-fluorobicyclo[2.2.2]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.08995 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09723 137.3
[M+Na]+ 195.07917 142.2
[M-H]- 171.08267 131.7
[M+NH4]+ 190.12377 163.2
[M+K]+ 211.05311 139.7
[M+H-H2O]+ 155.08721 132.9
[M+HCOO]- 217.08815 146.3
[M+CH3COO]- 231.10380 147.6
[M+Na-2H]- 193.06462 147.3
[M]+ 172.08940 135.4
[M]- 172.09050 135.4
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.