CID 16077516

Chembl388464

Structural Information

Molecular Formula
C20H11F2NO2S2
SMILES
C1=CC(=CC=C1F)SC2=C(C(=O)C3=C(C2=O)C=CN3)SC4=CC=C(C=C4)F
InChI
InChI=1S/C20H11F2NO2S2/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
OWAKSBDWUZTDCN-UHFFFAOYSA-N
Compound name
5,6-bis[(4-fluorophenyl)sulfanyl]-1H-indole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.01993 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.02721 186.5
[M+Na]+ 422.00915 198.3
[M-H]- 398.01265 192.6
[M+NH4]+ 417.05375 199.7
[M+K]+ 437.98309 188.7
[M+H-H2O]+ 382.01719 178.0
[M+HCOO]- 444.01813 195.4
[M+CH3COO]- 458.03378 196.3
[M+Na-2H]- 419.99460 184.0
[M]+ 399.01938 187.9
[M]- 399.02048 187.9
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.