CID 2806923

674283-92-2

Structural Information

Molecular Formula
C12H8F3N3S
SMILES
CC1=CC=C(C=C1)C2=CN3C(=N2)SC(=N3)C(F)(F)F
InChI
InChI=1S/C12H8F3N3S/c1-7-2-4-8(5-3-7)9-6-18-11(16-9)19-10(17-18)12(13,14)15/h2-6H,1H3
InChIKey
BRYOFKZQZHCGKL-UHFFFAOYSA-N
Compound name
6-(4-methylphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.0391 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.04638 157.3
[M+Na]+ 306.02832 171.5
[M-H]- 282.03182 159.5
[M+NH4]+ 301.07292 175.4
[M+K]+ 322.00226 166.1
[M+H-H2O]+ 266.03636 148.2
[M+HCOO]- 328.03730 172.0
[M+CH3COO]- 342.05295 170.1
[M+Na-2H]- 304.01377 158.5
[M]+ 283.03855 159.6
[M]- 283.03965 159.6
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.