CID 2106584

1-(3-chlorobenzenesulfonyl)piperazine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
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 153.8
[M+Na]+ 283.02786 161.2
[M-H]- 259.03136 156.1
[M+NH4]+ 278.07246 168.2
[M+K]+ 299.00180 155.6
[M+H-H2O]+ 243.03590 147.1
[M+HCOO]- 305.03684 160.7
[M+CH3COO]- 319.05249 185.4
[M+Na-2H]- 281.01331 157.1
[M]+ 260.03809 151.8
[M]- 260.03919 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

No literature data available for this compound.

Patent stripe

patents stripe