CID 2094181

1049791-62-9

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O₂S

SMILES

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

InChI

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

InChIKey

BVKKRWPRNWNKTH-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)sulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
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]+	261.04592	153.8
[M+Na]+	283.02786	161.2
[M-H]-	259.03136	156.1
[M+NH4]+	278.07246	168.2
[M+K]+	299.00180	155.6
[M+H-H2O]+	243.03590	147.1
[M+HCOO]-	305.03684	160.7
[M+CH3COO]-	319.05249	185.4
[M+Na-2H]-	281.01331	157.1
[M]+	260.03809	151.8
[M]-	260.03919	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe