CID 5279436

6,7-bis[(3,4-dichlorophenyl)sulfanyl]quinoline-5,8-dione

Structural Information

Molecular Formula
C21H9Cl4NO2S2
SMILES
C1=CC2=C(C(=O)C(=C(C2=O)SC3=CC(=C(C=C3)Cl)Cl)SC4=CC(=C(C=C4)Cl)Cl)N=C1
InChI
InChI=1S/C21H9Cl4NO2S2/c22-13-5-3-10(8-15(13)24)29-20-18(27)12-2-1-7-26-17(12)19(28)21(20)30-11-4-6-14(23)16(25)9-11/h1-9H
InChIKey
MUYKLWKZOULUFX-UHFFFAOYSA-N
Compound name
6,7-bis[(3,4-dichlorophenyl)sulfanyl]quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

510.88287 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.89015 200.5
[M+Na]+ 533.87209 212.0
[M-H]- 509.87559 207.0
[M+NH4]+ 528.91669 209.7
[M+K]+ 549.84603 204.2
[M+H-H2O]+ 493.88013 195.2
[M+HCOO]- 555.88107 192.1
[M+CH3COO]- 569.89672 208.1
[M+Na-2H]- 531.85754 197.9
[M]+ 510.88232 207.7
[M]- 510.88342 207.7
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.