CID 62738361

1225506-32-0

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]+ 223.112876 149.3
[M+Na]+ 245.094818 155.7
[M-H]- 221.098324 153.2
[M+NH4]+ 240.139423 170.3
[M+K]+ 261.068758 152.3
[M+H-H2O]+ 205.102860 142.8
[M+HCOO]- 267.103801 169.0
[M+CH3COO]- 281.119451 184.4
[M+Na-2H]- 243.080266 151.5
[M]+ 222.10505142 145.2
[M]- 222.10614858 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.