CID 3012968

6-(4-bromophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole

Structural Information

Molecular Formula
C11H5BrF3N3S
SMILES
C1=CC(=CC=C1C2=CN3C(=N2)SC(=N3)C(F)(F)F)Br
InChI
InChI=1S/C11H5BrF3N3S/c12-7-3-1-6(2-4-7)8-5-18-10(16-8)19-9(17-18)11(13,14)15/h1-5H
InChIKey
KSOBBFUKPBATOA-UHFFFAOYSA-N
Compound name
6-(4-bromophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.93396 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.94124 160.6
[M+Na]+ 369.92318 178.4
[M-H]- 345.92668 166.0
[M+NH4]+ 364.96778 180.2
[M+K]+ 385.89712 165.7
[M+H-H2O]+ 329.93122 159.1
[M+HCOO]- 391.93216 174.3
[M+CH3COO]- 405.94781 175.4
[M+Na-2H]- 367.90863 164.1
[M]+ 346.93341 181.1
[M]- 346.93451 181.1
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

No patent data available for this compound.