CID 985365

1-[(4-chlorophenyl)sulfonyl]-4-(4-fluorophenyl)piperazine

Structural Information

Molecular Formula
C16H16ClFN2O2S
SMILES
C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H16ClFN2O2S/c17-13-1-7-16(8-2-13)23(21,22)20-11-9-19(10-12-20)15-5-3-14(18)4-6-15/h1-8H,9-12H2
InChIKey
XRTLVSRKIHXTIC-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

354.06052 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.06780 177.3
[M+Na]+ 377.04974 185.8
[M-H]- 353.05324 182.8
[M+NH4]+ 372.09434 188.6
[M+K]+ 393.02368 178.7
[M+H-H2O]+ 337.05778 167.6
[M+HCOO]- 399.05872 184.0
[M+CH3COO]- 413.07437 186.8
[M+Na-2H]- 375.03519 178.7
[M]+ 354.05997 176.6
[M]- 354.06107 176.6
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