CID 213717

26961-89-7

Structural Information

Molecular Formula
C18H23ClO2
SMILES
C1CCC(CC1)C2=C(C=C(C=C2)C3(CCCC3)C(=O)O)Cl
InChI
InChI=1S/C18H23ClO2/c19-16-12-14(18(17(20)21)10-4-5-11-18)8-9-15(16)13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,20,21)
InChIKey
GRBZHHIMOYLQGH-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-cyclohexylphenyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.13867 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14595 174.6
[M+Na]+ 329.12789 178.8
[M-H]- 305.13139 181.7
[M+NH4]+ 324.17249 192.6
[M+K]+ 345.10183 172.8
[M+H-H2O]+ 289.13593 168.1
[M+HCOO]- 351.13687 186.1
[M+CH3COO]- 365.15252 198.6
[M+Na-2H]- 327.11334 172.7
[M]+ 306.13812 169.0
[M]- 306.13922 169.0
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.