CID 67108296

2,6-dibromoimidazo[2,1-b][1,3,4]thiadiazole

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

6
Patents

280.82578 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.833056 118.7
[M+Na]+ 303.814998 135.8
[M-H]- 279.818504 125.7
[M+NH4]+ 298.859603 141.0
[M+K]+ 319.788938 121.7
[M+H-H2O]+ 263.823040 128.7
[M+HCOO]- 325.823981 133.5
[M+CH3COO]- 339.839631 136.0
[M+Na-2H]- 301.800446 126.7
[M]+ 280.82523142 156.9
[M]- 280.82632858 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