CID 138111080

3-(4-fluorophenyl)bicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C12H11FO2
SMILES
C1C2(CC1(C2)C(=O)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C12H11FO2/c13-9-3-1-8(2-4-9)11-5-12(6-11,7-11)10(14)15/h1-4H,5-7H2,(H,14,15)
InChIKey
LNZNWYLJIJZKBY-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.07431 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08159 161.1
[M+Na]+ 229.06353 165.9
[M-H]- 205.06703 164.9
[M+NH4]+ 224.10813 165.9
[M+K]+ 245.03747 170.1
[M+H-H2O]+ 189.07157 146.6
[M+HCOO]- 251.07251 172.5
[M+CH3COO]- 265.08816 211.0
[M+Na-2H]- 227.04898 166.2
[M]+ 206.07376 184.3
[M]- 206.07486 184.3
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.