CID 3037939

3683-95-2

Structural Information

Molecular Formula
C6H5BrN4S2
SMILES
CC1=NSC(=C1Br)C2=NC(=S)NN2
InChI
InChI=1S/C6H5BrN4S2/c1-2-3(7)4(13-11-2)5-8-6(12)10-9-5/h1H3,(H2,8,9,10,12)
InChIKey
RDDNQXMMNFGSKQ-UHFFFAOYSA-N
Compound name
5-(4-bromo-3-methyl-1,2-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.9139 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.92118 138.7
[M+Na]+ 298.90312 142.0
[M+NH4]+ 293.94772 142.8
[M+K]+ 314.87706 142.8
[M-H]- 274.90662 138.2
[M+Na-2H]- 296.88857 140.9
[M]+ 275.91335 138.5
[M]- 275.91445 138.5
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.