CID 5279438

6,7-bis[(3-fluorophenyl)sulfanyl]quinoline-5,8-dione

Structural Information

Molecular Formula
C21H11F2NO2S2
SMILES
C1=CC(=CC(=C1)SC2=C(C(=O)C3=C(C2=O)C=CC=N3)SC4=CC=CC(=C4)F)F
InChI
InChI=1S/C21H11F2NO2S2/c22-12-4-1-6-14(10-12)27-20-18(25)16-8-3-9-24-17(16)19(26)21(20)28-15-7-2-5-13(23)11-15/h1-11H
InChIKey
AHHUFIGSRAGLHH-UHFFFAOYSA-N
Compound name
6,7-bis[(3-fluorophenyl)sulfanyl]quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.01993 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.02721 189.3
[M+Na]+ 434.00915 200.5
[M-H]- 410.01265 195.8
[M+NH4]+ 429.05375 200.3
[M+K]+ 449.98309 191.0
[M+H-H2O]+ 394.01719 178.5
[M+HCOO]- 456.01813 198.0
[M+CH3COO]- 470.03378 198.6
[M+Na-2H]- 431.99460 189.4
[M]+ 411.01938 191.0
[M]- 411.02048 191.0
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.