CID 16227807

2-bromo-6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole

Structural Information

Molecular Formula
C8H10BrN3S
SMILES
CC(C)(C)C1=CN2C(=N1)SC(=N2)Br
InChI
InChI=1S/C8H10BrN3S/c1-8(2,3)5-4-12-7(10-5)13-6(9)11-12/h4H,1-3H3
InChIKey
VLHVCWNJFKLULZ-UHFFFAOYSA-N
Compound name
2-bromo-6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.97787 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.98515 143.7
[M+Na]+ 281.96709 160.9
[M-H]- 257.97059 149.5
[M+NH4]+ 277.01169 167.1
[M+K]+ 297.94103 150.3
[M+H-H2O]+ 241.97513 145.0
[M+HCOO]- 303.97607 159.8
[M+CH3COO]- 317.99172 160.2
[M+Na-2H]- 279.95254 149.0
[M]+ 258.97732 167.9
[M]- 258.97842 167.9
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.