CID 14093247

2-chloro-4-phenylcyclohexan-1-one

Structural Information

Molecular Formula
C12H13ClO
SMILES
C1CC(=O)C(CC1C2=CC=CC=C2)Cl
InChI
InChI=1S/C12H13ClO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKey
ZMCRXOQTWSQMDG-UHFFFAOYSA-N
Compound name
2-chloro-4-phenylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.06549 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07277 143.6
[M+Na]+ 231.05471 150.9
[M-H]- 207.05821 149.7
[M+NH4]+ 226.09931 163.2
[M+K]+ 247.02865 146.2
[M+H-H2O]+ 191.06275 137.8
[M+HCOO]- 253.06369 160.2
[M+CH3COO]- 267.07934 184.3
[M+Na-2H]- 229.04016 147.8
[M]+ 208.06494 141.2
[M]- 208.06604 141.2
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