CID 68728311

2-(4-fluorophenyl)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C12H13FO2
SMILES
C1CC(C(C1)C(=O)O)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H13FO2/c13-9-6-4-8(5-7-9)10-2-1-3-11(10)12(14)15/h4-7,10-11H,1-3H2,(H,14,15)
InChIKey
JFQCUKYOMXNXRH-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

208.08995 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09723 144.1
[M+Na]+ 231.07917 150.8
[M-H]- 207.08267 148.1
[M+NH4]+ 226.12377 163.9
[M+K]+ 247.05311 147.6
[M+H-H2O]+ 191.08721 137.4
[M+HCOO]- 253.08815 164.1
[M+CH3COO]- 267.10380 183.0
[M+Na-2H]- 229.06462 145.1
[M]+ 208.08940 139.7
[M]- 208.09050 139.7
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