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]+ 300.041306 160.7
[M+Na]+ 322.023248 174.6
[M-H]- 298.026754 162.9
[M+NH4]+ 317.067853 178.0
[M+K]+ 337.997188 169.7
[M+H-H2O]+ 282.031290 151.5
[M+HCOO]- 344.032231 175.6
[M+CH3COO]- 358.047881 173.3
[M+Na-2H]- 320.008696 162.1
[M]+ 299.03348142 164.3
[M]- 299.03457858 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.