CID 200782

2-p-chlorobenzylcyclohexanone

Structural Information

Molecular Formula
C13H15ClO
SMILES
C1CCC(=O)C(C1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H15ClO/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h5-8,11H,1-4,9H2
InChIKey
UNJQQZUSORSFMS-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

222.08115 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08843 148.2
[M+Na]+ 245.07037 155.2
[M-H]- 221.07387 154.2
[M+NH4]+ 240.11497 167.3
[M+K]+ 261.04431 150.2
[M+H-H2O]+ 205.07841 142.2
[M+HCOO]- 267.07935 164.5
[M+CH3COO]- 281.09500 187.3
[M+Na-2H]- 243.05582 151.9
[M]+ 222.08060 146.3
[M]- 222.08170 146.3
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