CID 11575565

3-(4-chlorophenyl)sulfanyl-2,6-bis(4-fluorophenyl)piperidin-4-one

Structural Information

Molecular Formula
C23H18ClF2NOS
SMILES
C1C(NC(C(C1=O)SC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H18ClF2NOS/c24-16-5-11-19(12-6-16)29-23-21(28)13-20(14-1-7-17(25)8-2-14)27-22(23)15-3-9-18(26)10-4-15/h1-12,20,22-23,27H,13H2
InChIKey
NXZCWDPMYONARL-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)sulfanyl-2,6-bis(4-fluorophenyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

429.07657 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.08385 197.6
[M+Na]+ 452.06579 206.1
[M-H]- 428.06929 204.5
[M+NH4]+ 447.11039 206.5
[M+K]+ 468.03973 195.7
[M+H-H2O]+ 412.07383 186.1
[M+HCOO]- 474.07477 203.2
[M+CH3COO]- 488.09042 205.4
[M+Na-2H]- 450.05124 194.0
[M]+ 429.07602 194.8
[M]- 429.07712 194.8
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

No patent data available for this compound.