CID 1497261

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

Structural Information

Molecular Formula
C10H6BrN3S
SMILES
C1=CC=C(C=C1)C2=CN3C(=N2)SC(=N3)Br
InChI
InChI=1S/C10H6BrN3S/c11-9-13-14-6-8(12-10(14)15-9)7-4-2-1-3-5-7/h1-6H
InChIKey
MGNLPDIGVOLSBK-UHFFFAOYSA-N
Compound name
2-bromo-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

278.9466 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.95388 147.4
[M+Na]+ 301.93582 152.8
[M+NH4]+ 296.98042 153.3
[M+K]+ 317.90976 153.1
[M-H]- 277.93932 149.2
[M+Na-2H]- 299.92127 152.4
[M]+ 278.94605 148.0
[M]- 278.94715 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe