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

133
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 132.3
[M+Na]+ 222.98310 146.0
[M-H]- 198.98660 130.9
[M+NH4]+ 218.02770 147.3
[M+K]+ 238.95704 140.9
[M+H-H2O]+ 182.99114 125.7
[M+HCOO]- 244.99208 142.7
[M+CH3COO]- 259.00773 144.6
[M+Na-2H]- 220.96855 133.3
[M]+ 199.99333 134.0
[M]- 199.99443 134.0
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