CID 11241243

3-(4-chlorophenyl)cyclohexan-1-one

Structural Information

Molecular Formula
C12H13ClO
SMILES
C1CC(CC(=O)C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H13ClO/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h4-7,10H,1-3,8H2
InChIKey
GOIKJBFDOSEDRS-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

208.06549 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe