CID 177799249

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

Structural Information

Molecular Formula
C5H4BrN3S
SMILES
CC1=NN2C=C(N=C2S1)Br
InChI
InChI=1S/C5H4BrN3S/c1-3-8-9-2-4(6)7-5(9)10-3/h2H,1H3
InChIKey
CPIUXSVPKLOWAU-UHFFFAOYSA-N
Compound name
6-bromo-2-methylimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.93092 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.938196 126.7
[M+Na]+ 239.920138 144.8
[M-H]- 215.923644 132.7
[M+NH4]+ 234.964743 151.5
[M+K]+ 255.894078 134.6
[M+H-H2O]+ 199.928180 128.0
[M+HCOO]- 261.929121 145.2
[M+CH3COO]- 275.944771 144.5
[M+Na-2H]- 237.905586 132.9
[M]+ 216.93037142 150.6
[M]- 216.93146858 150.6
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.