CID 360963

4,5-ethylenedithio-1,3-dithiole-2-thione

Structural Information

Molecular Formula
C5H4S5
SMILES
C1CSC2=C(S1)SC(=S)S2
InChI
InChI=1S/C5H4S5/c6-5-9-3-4(10-5)8-2-1-7-3/h1-2H2
InChIKey
LFPIFRGVCYRUEO-UHFFFAOYSA-N
Compound name
5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

20
Patents

223.89166 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.89894 148.2
[M+Na]+ 246.88088 158.4
[M-H]- 222.88438 149.1
[M+NH4]+ 241.92548 167.4
[M+K]+ 262.85482 148.7
[M+H-H2O]+ 206.88892 144.7
[M+HCOO]- 268.88986 143.3
[M+CH3COO]- 282.90551 157.4
[M+Na-2H]- 244.86633 149.3
[M]+ 223.89111 142.0
[M]- 223.89221 142.0
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