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 184.6
[M+Na]+ 426.98119 193.5
[M-H]- 402.98469 189.9
[M+NH4]+ 422.02579 194.8
[M+K]+ 442.95513 186.4
[M+H-H2O]+ 386.98923 176.8
[M+HCOO]- 448.99017 182.0
[M+CH3COO]- 463.00582 193.0
[M+Na-2H]- 424.96664 184.3
[M]+ 403.99142 186.6
[M]- 403.99252 186.6
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.