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]+ 211.08843 145.1
[M+Na]+ 233.07037 151.8
[M-H]- 209.07387 149.8
[M+NH4]+ 228.11497 164.1
[M+K]+ 249.04431 146.7
[M+H-H2O]+ 193.07841 139.6
[M+HCOO]- 255.07935 160.0
[M+CH3COO]- 269.09500 182.5
[M+Na-2H]- 231.05582 148.9
[M]+ 210.08060 141.6
[M]- 210.08170 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