CID 16228182

1-(3-chlorophenyl)cyclohexanecarboxylic acid

Structural Information

Molecular Formula
C13H15ClO2
SMILES
C1CCC(CC1)(C2=CC(=CC=C2)Cl)C(=O)O
InChI
InChI=1S/C13H15ClO2/c14-11-6-4-5-10(9-11)13(12(15)16)7-2-1-3-8-13/h4-6,9H,1-3,7-8H2,(H,15,16)
InChIKey
IKAIZSGHPLHGLX-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

238.07605 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.083326 151.8
[M+Na]+ 261.065268 158.0
[M-H]- 237.068774 156.5
[M+NH4]+ 256.109873 171.1
[M+K]+ 277.039208 153.4
[M+H-H2O]+ 221.073310 146.5
[M+HCOO]- 283.074251 165.9
[M+CH3COO]- 297.089901 186.0
[M+Na-2H]- 259.050716 155.6
[M]+ 238.07550142 148.8
[M]- 238.07659858 148.8
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