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

11
Patents

208.08995 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.097226 144.1
[M+Na]+ 231.079168 150.8
[M-H]- 207.082674 148.1
[M+NH4]+ 226.123773 163.9
[M+K]+ 247.053108 147.6
[M+H-H2O]+ 191.087210 137.4
[M+HCOO]- 253.088151 164.1
[M+CH3COO]- 267.103801 183.0
[M+Na-2H]- 229.064616 145.1
[M]+ 208.08940142 139.7
[M]- 208.09049858 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