CID 16077518

1h-indole-4,7-dione, 6-[(4-bromophenyl)thio]-5-[(4-chlorophenyl)thio]-

Structural Information

Molecular Formula
C20H11BrClNO2S2
SMILES
C1=CC(=CC=C1SC2=C(C(=O)C3=C(C2=O)C=CN3)SC4=CC=C(C=C4)Br)Cl
InChI
InChI=1S/C20H11BrClNO2S2/c21-11-1-5-13(6-2-11)27-20-18(25)16-15(9-10-23-16)17(24)19(20)26-14-7-3-12(22)4-8-14/h1-10,23H
InChIKey
HMNBPVNELAUAEB-UHFFFAOYSA-N
Compound name
6-(4-bromophenyl)sulfanyl-5-(4-chlorophenyl)sulfanyl-1H-indole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

474.9103 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.91758 183.7
[M+Na]+ 497.89952 199.1
[M-H]- 473.90302 195.1
[M+NH4]+ 492.94412 199.4
[M+K]+ 513.87346 182.9
[M+H-H2O]+ 457.90756 185.4
[M+HCOO]- 519.90850 189.2
[M+CH3COO]- 533.92415 196.5
[M+Na-2H]- 495.88497 184.9
[M]+ 474.90975 207.2
[M]- 474.91085 207.2
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.