CID 20490854

2-(4-chlorophenyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C12H15ClO
SMILES
C1CCC(C(C1)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C12H15ClO/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h5-8,11-12,14H,1-4H2
InChIKey
IJTCXAWGMMJYLJ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

210.08115 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.088426 145.1
[M+Na]+ 233.070368 151.8
[M-H]- 209.073874 149.8
[M+NH4]+ 228.114973 164.1
[M+K]+ 249.044308 146.7
[M+H-H2O]+ 193.078410 139.6
[M+HCOO]- 255.079351 160.0
[M+CH3COO]- 269.095001 182.5
[M+Na-2H]- 231.055816 148.9
[M]+ 210.08060142 141.6
[M]- 210.08169858 141.6
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

patents stripe