CID 62740243

1-[(3-chlorophenyl)methyl]cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C14H17ClO2
SMILES
C1CCC(CC1)(CC2=CC(=CC=C2)Cl)C(=O)O
InChI
InChI=1S/C14H17ClO2/c15-12-6-4-5-11(9-12)10-14(13(16)17)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2,(H,16,17)
InChIKey
KSNNZQWIDBEZMO-UHFFFAOYSA-N
Compound name
1-[(3-chlorophenyl)methyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0917 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09898 156.3
[M+Na]+ 275.08092 169.1
[M+NH4]+ 270.12552 166.7
[M+K]+ 291.05486 159.7
[M-H]- 251.08442 160.0
[M+Na-2H]- 273.06637 164.8
[M]+ 252.09115 159.6
[M]- 252.09225 159.6
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.