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

0
Patents

208.06549 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.072766 143.6
[M+Na]+ 231.054708 150.9
[M-H]- 207.058214 149.7
[M+NH4]+ 226.099313 163.2
[M+K]+ 247.028648 146.2
[M+H-H2O]+ 191.062750 137.8
[M+HCOO]- 253.063691 160.2
[M+CH3COO]- 267.079341 184.3
[M+Na-2H]- 229.040156 147.8
[M]+ 208.06494142 141.2
[M]- 208.06603858 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