CID 53925853

[4-(4-chlorophenyl)cyclohexyl]methanol

Structural Information

Molecular Formula
C13H17ClO
SMILES
C1CC(CCC1CO)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H17ClO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h5-8,10-11,15H,1-4,9H2
InChIKey
INSWJXJRICZMOG-UHFFFAOYSA-N
Compound name
[4-(4-chlorophenyl)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

224.09679 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10407 149.2
[M+Na]+ 247.08601 163.2
[M+NH4]+ 242.13061 159.3
[M+K]+ 263.05995 154.6
[M-H]- 223.08951 153.9
[M+Na-2H]- 245.07146 157.2
[M]+ 224.09624 152.9
[M]- 224.09734 152.9
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