CID 801806

1-(4-chlorobenzenesulfonyl)piperazine

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

83
Patents

260.03864 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.045916 153.8
[M+Na]+ 283.027858 161.2
[M-H]- 259.031364 156.1
[M+NH4]+ 278.072463 168.2
[M+K]+ 299.001798 155.6
[M+H-H2O]+ 243.035900 147.1
[M+HCOO]- 305.036841 160.7
[M+CH3COO]- 319.052491 185.4
[M+Na-2H]- 281.013306 157.1
[M]+ 260.03809142 151.8
[M]- 260.03918858 151.8
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