CID 16769382

2-(2-chlorophenyl)-1-(piperazin-1-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₅ClN₂O

SMILES

C1CN(CCN1)C(=O)CC2=CC=CC=C2Cl

InChI

InChI=1S/C12H15ClN2O/c13-11-4-2-1-3-10(11)9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2

InChIKey

YUVORACMRKRFNM-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)-1-piperazin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.0873 Da
Monoisotopic Mass: 1.3
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]+	239.094576	153.0
[M+Na]+	261.076518	158.7
[M-H]-	237.080024	154.4
[M+NH4]+	256.121123	167.6
[M+K]+	277.050458	153.3
[M+H-H2O]+	221.084560	145.0
[M+HCOO]-	283.085501	164.3
[M+CH3COO]-	297.101151	186.1
[M+Na-2H]-	259.061966	156.3
[M]+	238.08675142	148.6
[M]-	238.08784858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe