CID 132427850

1-(4-fluorophenyl)bicyclo[2.1.1]hexane-5-carboxylic acid

Structural Information

Molecular Formula
C13H13FO2
SMILES
C1CC2(CC1C2C(=O)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C13H13FO2/c14-10-3-1-9(2-4-10)13-6-5-8(7-13)11(13)12(15)16/h1-4,8,11H,5-7H2,(H,15,16)
InChIKey
OOCBBOIXARWQNR-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)bicyclo[2.1.1]hexane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.08995 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09723 153.6
[M+Na]+ 243.07917 160.3
[M-H]- 219.08267 156.0
[M+NH4]+ 238.12377 174.0
[M+K]+ 259.05311 159.2
[M+H-H2O]+ 203.08721 145.6
[M+HCOO]- 265.08815 169.3
[M+CH3COO]- 279.10380 165.3
[M+Na-2H]- 241.06462 157.9
[M]+ 220.08940 164.3
[M]- 220.09050 164.3
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.