CID 16077521

Chembl234504

Structural Information

Molecular Formula
C20H9F4NO2S2
SMILES
C1=CC(=C(C=C1SC2=C(C(=O)C3=C(C2=O)C=CN3)SC4=CC(=C(C=C4)F)F)F)F
InChI
InChI=1S/C20H9F4NO2S2/c21-12-3-1-9(7-14(12)23)28-19-17(26)11-5-6-25-16(11)18(27)20(19)29-10-2-4-13(22)15(24)8-10/h1-8,25H
InChIKey
RMPTYAHMZHWBKV-UHFFFAOYSA-N
Compound name
5,6-bis[(3,4-difluorophenyl)sulfanyl]-1H-indole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.0011 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.00838 191.5
[M+Na]+ 457.99032 204.6
[M-H]- 433.99382 195.3
[M+NH4]+ 453.03492 203.5
[M+K]+ 473.96426 194.1
[M+H-H2O]+ 417.99836 181.4
[M+HCOO]- 479.99930 198.0
[M+CH3COO]- 494.01495 200.6
[M+Na-2H]- 455.97577 186.7
[M]+ 435.00055 191.7
[M]- 435.00165 191.7
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.