CID 43159295

2-bromo-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole

Structural Information

Molecular Formula
C10H5BrFN3S
SMILES
C1=CC(=CC=C1C2=CN3C(=N2)SC(=N3)Br)F
InChI
InChI=1S/C10H5BrFN3S/c11-9-14-15-5-8(13-10(15)16-9)6-1-3-7(12)4-2-6/h1-5H
InChIKey
LWJWCCHXBWTTRP-UHFFFAOYSA-N
Compound name
2-bromo-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.93716 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.94444 146.4
[M+Na]+ 319.92638 164.4
[M-H]- 295.92988 154.3
[M+NH4]+ 314.97098 168.1
[M+K]+ 335.90032 152.5
[M+H-H2O]+ 279.93442 146.5
[M+HCOO]- 341.93536 164.0
[M+CH3COO]- 355.95101 162.9
[M+Na-2H]- 317.91183 151.0
[M]+ 296.93661 169.3
[M]- 296.93771 169.3
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