CID 736133

1-(4-fluorophenyl)cyclopentanecarboxylic acid

Structural Information

Molecular Formula
C12H13FO2
SMILES
C1CCC(C1)(C2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C12H13FO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15)
InChIKey
VVMRZYODYMBLRJ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

208.08995 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09723 144.7
[M+Na]+ 231.07917 151.5
[M-H]- 207.08267 148.7
[M+NH4]+ 226.12377 166.2
[M+K]+ 247.05311 148.4
[M+H-H2O]+ 191.08721 138.4
[M+HCOO]- 253.08815 164.7
[M+CH3COO]- 267.10380 181.4
[M+Na-2H]- 229.06462 147.5
[M]+ 208.08940 140.2
[M]- 208.09050 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