CID 386370

1-(3-chloro-phenyl)-4-(2,5-dichloro-benzenesulfonyl)-piperazine

Structural Information

Molecular Formula
C16H15Cl3N2O2S
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C16H15Cl3N2O2S/c17-12-2-1-3-14(10-12)20-6-8-21(9-7-20)24(22,23)16-11-13(18)4-5-15(16)19/h1-5,10-11H,6-9H2
InChIKey
CMOHIYAYQCFWEZ-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-4-(2,5-dichlorophenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.99197 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.99925 190.1
[M+Na]+ 426.98119 206.2
[M+NH4]+ 422.02579 198.1
[M+K]+ 442.95513 195.2
[M-H]- 402.98469 194.3
[M+Na-2H]- 424.96664 198.1
[M]+ 403.99142 195.0
[M]- 403.99252 195.0
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.