CID 3006244

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

Structural Information

Molecular Formula
C12H8F3N3OS
SMILES
COC1=CC=C(C=C1)C2=CN3C(=N2)SC(=N3)C(F)(F)F
InChI
InChI=1S/C12H8F3N3OS/c1-19-8-4-2-7(3-5-8)9-6-18-11(16-9)20-10(17-18)12(13,14)15/h2-6H,1H3
InChIKey
FTNHMTKQDPGOAJ-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.03403 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04131 160.7
[M+Na]+ 322.02325 174.6
[M-H]- 298.02675 162.9
[M+NH4]+ 317.06785 178.0
[M+K]+ 337.99719 169.7
[M+H-H2O]+ 282.03129 151.5
[M+HCOO]- 344.03223 175.6
[M+CH3COO]- 358.04788 173.3
[M+Na-2H]- 320.00870 162.1
[M]+ 299.03348 164.3
[M]- 299.03458 164.3
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.