CID 2106584

1-(3-chlorobenzenesulfonyl)piperazine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O₂S

SMILES

C1CN(CCN1)S(=O)(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C10H13ClN2O2S/c11-9-2-1-3-10(8-9)16(14,15)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2

InChIKey

BLZOIBGTCWDWIL-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)sulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 260.03864 Da
Monoisotopic Mass: 1.0
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]+	261.045916	153.8
[M+Na]+	283.027858	161.2
[M-H]-	259.031364	156.1
[M+NH4]+	278.072463	168.2
[M+K]+	299.001798	155.6
[M+H-H2O]+	243.035900	147.1
[M+HCOO]-	305.036841	160.7
[M+CH3COO]-	319.052491	185.4
[M+Na-2H]-	281.013306	157.1
[M]+	260.03809142	151.8
[M]-	260.03918858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe