CID 16077517

Chembl232222

Structural Information

Molecular Formula
C20H11Cl2NO2S2
SMILES
C1=CC(=CC=C1SC2=C(C(=O)C3=C(C2=O)C=CN3)SC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C20H11Cl2NO2S2/c21-11-1-5-13(6-2-11)26-19-17(24)15-9-10-23-16(15)18(25)20(19)27-14-7-3-12(22)4-8-14/h1-10,23H
InChIKey
MRODKNNDHGVQSG-UHFFFAOYSA-N
Compound name
5,6-bis[(4-chlorophenyl)sulfanyl]-1H-indole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.96082 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.96810 193.8
[M+Na]+ 453.95004 206.1
[M-H]- 429.95354 202.2
[M+NH4]+ 448.99464 207.4
[M+K]+ 469.92398 196.3
[M+H-H2O]+ 413.95808 188.8
[M+HCOO]- 475.95902 195.4
[M+CH3COO]- 489.97467 203.7
[M+Na-2H]- 451.93549 191.4
[M]+ 430.96027 200.2
[M]- 430.96137 200.2
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.