CID 5279433

6,7-bis[(2-chlorophenyl)sulfanyl]quinoline-5,8-dione

Structural Information

Molecular Formula
C21H11Cl2NO2S2
SMILES
C1=CC=C(C(=C1)SC2=C(C(=O)C3=C(C2=O)C=CC=N3)SC4=CC=CC=C4Cl)Cl
InChI
InChI=1S/C21H11Cl2NO2S2/c22-13-7-1-3-9-15(13)27-20-18(25)12-6-5-11-24-17(12)19(26)21(20)28-16-10-4-2-8-14(16)23/h1-11H
InChIKey
OJEXNLWKDCAHDK-UHFFFAOYSA-N
Compound name
6,7-bis[(2-chlorophenyl)sulfanyl]quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

442.96082 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.96810 193.2
[M+Na]+ 465.95004 205.0
[M-H]- 441.95354 202.1
[M+NH4]+ 460.99464 204.7
[M+K]+ 481.92398 195.5
[M+H-H2O]+ 425.95808 186.2
[M+HCOO]- 487.95902 194.9
[M+CH3COO]- 501.97467 202.8
[M+Na-2H]- 463.93549 193.7
[M]+ 442.96027 200.3
[M]- 442.96137 200.3
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

No patent data available for this compound.