CID 24693065

1-(2-chlorobenzoyl)piperidin-4-one

Structural Information

Molecular Formula

C₁₂H₁₂ClNO₂

SMILES

C1CN(CCC1=O)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C12H12ClNO2/c13-11-4-2-1-3-10(11)12(16)14-7-5-9(15)6-8-14/h1-4H,5-8H2

InChIKey

BSCVZXWTQZIDPE-UHFFFAOYSA-N

Compound name

1-(2-chlorobenzoyl)piperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.05565 Da
Monoisotopic Mass: 1.5
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]+	238.062926	149.8
[M+Na]+	260.044868	157.1
[M-H]-	236.048374	154.6
[M+NH4]+	255.089473	166.7
[M+K]+	276.018808	152.8
[M+H-H2O]+	220.052910	142.8
[M+HCOO]-	282.053851	164.4
[M+CH3COO]-	296.069501	188.3
[M+Na-2H]-	258.030316	152.9
[M]+	237.05510142	148.0
[M]-	237.05619858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.