CID 84653

14804-01-4

Structural Information

Molecular Formula
C4H4N6S2
SMILES
C1=NNC(=N1)SSC2=NC=NN2
InChI
InChI=1S/C4H4N6S2/c1-5-3(9-7-1)11-12-4-6-2-8-10-4/h1-2H,(H,5,7,9)(H,6,8,10)
InChIKey
QDQRBNVXOJWPIJ-UHFFFAOYSA-N
Compound name
5-(1H-1,2,4-triazol-5-yldisulfanyl)-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

199.99388 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00116 135.1
[M+Na]+ 222.98310 146.5
[M+NH4]+ 218.02770 141.6
[M+K]+ 238.95704 141.7
[M-H]- 198.98660 134.5
[M+Na-2H]- 220.96855 140.2
[M]+ 199.99333 137.1
[M]- 199.99443 137.1
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.