CID 11601008

3-chlorophenyl cyclohexyl ketone

Structural Information

Molecular Formula
C13H15ClO
SMILES
C1CCC(CC1)C(=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H15ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2
InChIKey
UCXGEGZHQMRFHV-UHFFFAOYSA-N
Compound name
(3-chlorophenyl)-cyclohexylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

222.08115 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08843 148.5
[M+Na]+ 245.07037 154.2
[M-H]- 221.07387 154.2
[M+NH4]+ 240.11497 167.2
[M+K]+ 261.04431 149.7
[M+H-H2O]+ 205.07841 142.4
[M+HCOO]- 267.07935 163.8
[M+CH3COO]- 281.09500 187.0
[M+Na-2H]- 243.05582 151.7
[M]+ 222.08060 145.6
[M]- 222.08170 145.6
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