CID 985376

329937-53-3

Structural Information

Molecular Formula
C16H16Cl2N2O2S
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H16Cl2N2O2S/c17-13-4-6-16(7-5-13)23(21,22)20-10-8-19(9-11-20)15-3-1-2-14(18)12-15/h1-7,12H,8-11H2
InChIKey
ZQPCZIANNZTUKO-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

370.03094 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.03822 179.9
[M+Na]+ 393.02016 188.4
[M-H]- 369.02366 186.1
[M+NH4]+ 388.06476 191.0
[M+K]+ 408.99410 181.2
[M+H-H2O]+ 353.02820 171.5
[M+HCOO]- 415.02914 182.6
[M+CH3COO]- 429.04479 189.1
[M+Na-2H]- 391.00561 181.2
[M]+ 370.03039 181.3
[M]- 370.03149 181.3
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