CID 38339

Brn 0541292

Structural Information

Molecular Formula
C12H13ClN2O2S
SMILES
C1CN(CCN1)C2=C(S(=O)(=O)C3=CC=CC=C32)Cl
InChI
InChI=1S/C12H13ClN2O2S/c13-12-11(15-7-5-14-6-8-15)9-3-1-2-4-10(9)18(12,16)17/h1-4,14H,5-8H2
InChIKey
DVEGMMOBQSLKED-UHFFFAOYSA-N
Compound name
2-chloro-3-piperazin-1-yl-1-benzothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.03864 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.04592 159.0
[M+Na]+ 307.02786 172.2
[M+NH4]+ 302.07246 169.1
[M+K]+ 323.00180 162.9
[M-H]- 283.03136 161.4
[M+Na-2H]- 305.01331 165.8
[M]+ 284.03809 162.4
[M]- 284.03919 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.