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

63
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 141.8
[M+Na]+ 230.86733 156.8
[M-H]- 206.87083 146.7
[M+NH4]+ 225.91193 165.5
[M+K]+ 246.84127 150.1
[M+H-H2O]+ 190.87537 139.6
[M+HCOO]- 252.87631 148.6
[M+CH3COO]- 266.89196 155.5
[M+Na-2H]- 228.85278 142.9
[M]+ 207.87756 145.6
[M]- 207.87866 145.6
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