CID 1074760

2-(4-chlorophenoxy)-1-(piperazin-1-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₅ClN₂O₂

SMILES

C1CN(CCN1)C(=O)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H15ClN2O2/c13-10-1-3-11(4-2-10)17-9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2

InChIKey

TYCJFZIWSCJVJW-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)-1-piperazin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 62
Patents: 254.0822 Da
Monoisotopic Mass: 1.1
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]+	255.08948	155.6
[M+Na]+	277.07142	161.2
[M-H]-	253.07492	157.1
[M+NH4]+	272.11602	169.5
[M+K]+	293.04536	156.4
[M+H-H2O]+	237.07946	147.4
[M+HCOO]-	299.08040	167.2
[M+CH3COO]-	313.09605	188.2
[M+Na-2H]-	275.05687	159.0
[M]+	254.08165	152.7
[M]-	254.08275	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe