CID 801806

16017-53-1

Structural Information

Molecular Formula
C10H13ClN2O2S
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H13ClN2O2S/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey
CKVKEBVACPUEIB-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

81
Patents

260.03864 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04592 154.4
[M+Na]+ 283.02786 166.8
[M+NH4]+ 278.07246 162.1
[M+K]+ 299.00180 158.7
[M-H]- 259.03136 156.0
[M+Na-2H]- 281.01331 160.8
[M]+ 260.03809 157.2
[M]- 260.03919 157.2
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