CID 18771

Dithianon

Structural Information

Molecular Formula
C14H4N2O2S2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N
InChI
InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H
InChIKey
PYZSVQVRHDXQSL-UHFFFAOYSA-N
Compound name
5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

23
References

34680
Patents

295.9714 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.97868 171.8
[M+Na]+ 318.96062 182.8
[M+NH4]+ 314.00522 173.7
[M+K]+ 334.93456 169.6
[M-H]- 294.96412 163.7
[M+Na-2H]- 316.94607 172.4
[M]+ 295.97085 170.6
[M]- 295.97195 170.6
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

patents stripe