CID 555056

64394-45-2

Structural Information

Molecular Formula
C4O2S4
SMILES
C12=C(SC(=O)S1)SC(=O)S2
InChI
InChI=1S/C4O2S4/c5-3-7-1-2(9-3)10-4(6)8-1
InChIKey
XMQJUIFJLYEFQR-UHFFFAOYSA-N
Compound name
[1,3]dithiolo[4,5-d][1,3]dithiole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

55
Patents

207.87811 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.88539 138.7
[M+Na]+ 230.86733 148.8
[M+NH4]+ 225.91193 148.7
[M+K]+ 246.84127 139.6
[M-H]- 206.87083 141.0
[M+Na-2H]- 228.85278 140.5
[M]+ 207.87756 142.5
[M]- 207.87866 142.5
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