CID 67108296

Schembl1650295

Structural Information

Molecular Formula
C4HBr2N3S
SMILES
C1=C(N=C2N1N=C(S2)Br)Br
InChI
InChI=1S/C4HBr2N3S/c5-2-1-9-4(7-2)10-3(6)8-9/h1H
InChIKey
XETVPABUSOYGTB-UHFFFAOYSA-N
Compound name
2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

280.82578 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.83306 118.7
[M+Na]+ 303.81500 135.8
[M-H]- 279.81850 125.7
[M+NH4]+ 298.85960 141.0
[M+K]+ 319.78894 121.7
[M+H-H2O]+ 263.82304 128.7
[M+HCOO]- 325.82398 133.5
[M+CH3COO]- 339.83963 136.0
[M+Na-2H]- 301.80045 126.7
[M]+ 280.82523 156.9
[M]- 280.82633 156.9
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

patents stripe