CID 3863656

1-[(5-chlorothiophen-2-yl)sulfonyl]piperazine hydrochloride

Structural Information

Molecular Formula
C8H11ClN2O2S2
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC=C(S2)Cl
InChI
InChI=1S/C8H11ClN2O2S2/c9-7-1-2-8(14-7)15(12,13)11-5-3-10-4-6-11/h1-2,10H,3-6H2
InChIKey
RBKLPYOXLAWRCL-UHFFFAOYSA-N
Compound name
1-(5-chlorothiophen-2-yl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

265.99506 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00234 155.1
[M+Na]+ 288.98428 163.7
[M-H]- 264.98778 157.8
[M+NH4]+ 284.02888 171.6
[M+K]+ 304.95822 158.0
[M+H-H2O]+ 248.99232 150.0
[M+HCOO]- 310.99326 158.3
[M+CH3COO]- 325.00891 184.2
[M+Na-2H]- 286.96973 154.7
[M]+ 265.99451 154.3
[M]- 265.99561 154.3
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