CID 2806921

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

Structural Information

Molecular Formula
C11H5F4N3S
SMILES
C1=CC(=CC=C1C2=CN3C(=N2)SC(=N3)C(F)(F)F)F
InChI
InChI=1S/C11H5F4N3S/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
KMEAGXUDTAVJFF-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.01404 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.02132 154.6
[M+Na]+ 310.00326 169.3
[M-H]- 286.00676 155.6
[M+NH4]+ 305.04786 172.4
[M+K]+ 325.97720 163.6
[M+H-H2O]+ 270.01130 144.8
[M+HCOO]- 332.01224 168.6
[M+CH3COO]- 346.02789 167.3
[M+Na-2H]- 307.98871 155.8
[M]+ 287.01349 155.5
[M]- 287.01459 155.5
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.