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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	223.08843	147.9
[M+Na]+	245.07037	162.6
[M+NH4]+	240.11497	158.1
[M+K]+	261.04431	153.6
[M-H]-	221.07387	153.0
[M+Na-2H]-	243.05582	156.4
[M]+	222.08060	151.8
[M]-	222.08170	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe