CID 2060585

1-(2-chloro-benzoyl)-piperazine

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O

SMILES

C1CN(CCN1)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C11H13ClN2O/c12-10-4-2-1-3-9(10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2

InChIKey

UKXGHBPPSTVPJO-UHFFFAOYSA-N

Compound name

(2-chlorophenyl)-piperazin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 4
Patents: 224.07164 Da
Monoisotopic Mass: 1.4
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]+	225.07892	148.5
[M+Na]+	247.06086	154.6
[M-H]-	223.06436	150.1
[M+NH4]+	242.10546	163.7
[M+K]+	263.03480	149.5
[M+H-H2O]+	207.06890	140.7
[M+HCOO]-	269.06984	160.2
[M+CH3COO]-	283.08549	183.1
[M+Na-2H]-	245.04631	152.4
[M]+	224.07109	143.8
[M]-	224.07219	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe