CID 3012970

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

Structural Information

Molecular Formula
C9H4F3N3OS
SMILES
C1=COC(=C1)C2=CN3C(=N2)SC(=N3)C(F)(F)F
InChI
InChI=1S/C9H4F3N3OS/c10-9(11,12)7-14-15-4-5(13-8(15)17-7)6-2-1-3-16-6/h1-4H
InChIKey
YUVVPSZOQZWLLN-UHFFFAOYSA-N
Compound name
6-(furan-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.00272 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.01000 146.0
[M+Na]+ 281.99194 161.7
[M-H]- 257.99544 150.0
[M+NH4]+ 277.03654 165.6
[M+K]+ 297.96588 159.5
[M+H-H2O]+ 241.99998 138.8
[M+HCOO]- 304.00092 163.7
[M+CH3COO]- 318.01657 160.7
[M+Na-2H]- 279.97739 148.2
[M]+ 259.00217 151.4
[M]- 259.00327 151.4
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.