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 143.2
[M+Na]+ 301.93582 160.5
[M-H]- 277.93932 152.0
[M+NH4]+ 296.98042 165.4
[M+K]+ 317.90976 149.1
[M+H-H2O]+ 261.94386 144.0
[M+HCOO]- 323.94480 161.8
[M+CH3COO]- 337.96045 160.0
[M+Na-2H]- 299.92127 149.0
[M]+ 278.94605 166.6
[M]- 278.94715 166.6
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