CID 62738361

1-[(4-fluorophenyl)methyl]cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C13H15FO2
SMILES
C1CCC(C1)(CC2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C13H15FO2/c14-11-5-3-10(4-6-11)9-13(12(15)16)7-1-2-8-13/h3-6H,1-2,7-9H2,(H,15,16)
InChIKey
KNKZWRPVYPXRBJ-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.1056 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11288 149.3
[M+Na]+ 245.09482 155.7
[M-H]- 221.09832 153.2
[M+NH4]+ 240.13942 170.3
[M+K]+ 261.06876 152.3
[M+H-H2O]+ 205.10286 142.8
[M+HCOO]- 267.10380 169.0
[M+CH3COO]- 281.11945 184.4
[M+Na-2H]- 243.08027 151.5
[M]+ 222.10505 145.2
[M]- 222.10615 145.2
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

No patent data available for this compound.