CID 83120

4-chloro-2-cyclohexylphenol

Structural Information

Molecular Formula
C12H15ClO
SMILES
C1CCC(CC1)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C12H15ClO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9,14H,1-5H2
InChIKey
XRUHXAQEOJDPEG-UHFFFAOYSA-N
Compound name
4-chloro-2-cyclohexylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1246
Patents

210.08115 Da
Monoisotopic Mass

4.7
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

literature stripe

Patent stripe

patents stripe