CID 3064998

106165-42-8

Structural Information

Molecular Formula
C13H17ClO
SMILES
C1CCC(CC1)C(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C13H17ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h6-10,13,15H,1-5H2
InChIKey
UWCWPJZIKQCZIM-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-cyclohexylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

224.09679 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10407 149.9
[M+Na]+ 247.08601 154.9
[M-H]- 223.08951 154.1
[M+NH4]+ 242.13061 167.9
[M+K]+ 263.05995 150.1
[M+H-H2O]+ 207.09405 144.1
[M+HCOO]- 269.09499 163.5
[M+CH3COO]- 283.11064 185.2
[M+Na-2H]- 245.07146 152.6
[M]+ 224.09624 145.8
[M]- 224.09734 145.8
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

No patent data available for this compound.