CID 808712

1-(benzenesulfonyl)piperazine

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C10H14N2O2S/c13-15(14,10-4-2-1-3-5-10)12-8-6-11-7-9-12/h1-5,11H,6-9H2
InChIKey
NANQJUFFKXWVJR-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

636
Patents

226.0776 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 148.6
[M+Na]+ 249.06682 154.7
[M-H]- 225.07032 150.5
[M+NH4]+ 244.11142 163.3
[M+K]+ 265.04076 150.4
[M+H-H2O]+ 209.07486 141.1
[M+HCOO]- 271.07580 160.2
[M+CH3COO]- 285.09145 180.5
[M+Na-2H]- 247.05227 153.0
[M]+ 226.07705 144.4
[M]- 226.07815 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe