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

1
Patents

206.07431 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.081586 161.1
[M+Na]+ 229.063528 165.9
[M-H]- 205.067034 164.9
[M+NH4]+ 224.108133 165.9
[M+K]+ 245.037468 170.1
[M+H-H2O]+ 189.071570 146.6
[M+HCOO]- 251.072511 172.5
[M+CH3COO]- 265.088161 211.0
[M+Na-2H]- 227.048976 166.2
[M]+ 206.07376142 184.3
[M]- 206.07485858 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

patents stripe