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]+ 297.944436 146.4
[M+Na]+ 319.926378 164.4
[M-H]- 295.929884 154.3
[M+NH4]+ 314.970983 168.1
[M+K]+ 335.900318 152.5
[M+H-H2O]+ 279.934420 146.5
[M+HCOO]- 341.935361 164.0
[M+CH3COO]- 355.951011 162.9
[M+Na-2H]- 317.911826 151.0
[M]+ 296.93661142 169.3
[M]- 296.93770858 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