CID 3734885

1-[(2,5-dichlorophenyl)sulfonyl]piperazine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂Cl₂N₂O₂S

SMILES

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

InChI

InChI=1S/C10H12Cl2N2O2S/c11-8-1-2-9(12)10(7-8)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2

InChIKey

OZYYUZYHDXJSPP-UHFFFAOYSA-N

Compound name

1-(2,5-dichlorophenyl)sulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 293.99966 Da
Monoisotopic Mass: 1.7
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]+	295.00694	161.5
[M+Na]+	316.98888	174.6
[M+NH4]+	312.03348	169.2
[M+K]+	332.96282	166.0
[M-H]-	292.99238	162.9
[M+Na-2H]-	314.97433	167.4
[M]+	293.99911	164.7
[M]-	294.00021	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe