CID 90524

5,6-dihydro-1,4-dithiin-2,3-dicarbonitrile

Structural Information

Molecular Formula
C6H4N2S2
SMILES
C1CSC(=C(S1)C#N)C#N
InChI
InChI=1S/C6H4N2S2/c7-3-5-6(4-8)10-2-1-9-5/h1-2H2
InChIKey
FBSVHCGELQWERO-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-dithiine-5,6-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

167.9816 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.98888 146.7
[M+Na]+ 190.97082 154.6
[M+NH4]+ 186.01542 148.9
[M+K]+ 206.94476 143.1
[M-H]- 166.97432 138.0
[M+Na-2H]- 188.95627 146.6
[M]+ 167.98105 144.7
[M]- 167.98215 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.