CID 3865892

1032757-93-9

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S₂

SMILES

C1CN(CCN1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C8H12N2O2S2/c11-14(12,8-2-1-7-13-8)10-5-3-9-4-6-10/h1-2,7,9H,3-6H2

InChIKey

JEVLAMZYGHEJIS-UHFFFAOYSA-N

Compound name

1-thiophen-2-ylsulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 232.03403 Da
Monoisotopic Mass: 0.4
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]+	233.04131	149.3
[M+Na]+	255.02325	156.8
[M-H]-	231.02675	151.5
[M+NH4]+	250.06785	166.1
[M+K]+	270.99719	152.4
[M+H-H2O]+	215.03129	143.3
[M+HCOO]-	277.03223	157.2
[M+CH3COO]-	291.04788	179.4
[M+Na-2H]-	253.00870	149.9
[M]+	232.03348	146.5
[M]-	232.03458	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe