CID 736130

1-(2-fluorophenyl)cyclopentanecarboxylic acid

Structural Information

Molecular Formula
C12H13FO2
SMILES
C1CCC(C1)(C2=CC=CC=C2F)C(=O)O
InChI
InChI=1S/C12H13FO2/c13-10-6-2-1-5-9(10)12(11(14)15)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2,(H,14,15)
InChIKey
AXWFKNJZMNAYGJ-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

208.08995 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.097226 144.7
[M+Na]+ 231.079168 151.5
[M-H]- 207.082674 148.7
[M+NH4]+ 226.123773 166.2
[M+K]+ 247.053108 148.4
[M+H-H2O]+ 191.087210 138.4
[M+HCOO]- 253.088151 164.7
[M+CH3COO]- 267.103801 181.4
[M+Na-2H]- 229.064616 147.5
[M]+ 208.08940142 140.2
[M]- 208.09049858 140.2
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