CID 3056289

Brn 1146839

Structural Information

Molecular Formula
C12H6F4N4
SMILES
C1=CC(=CC=C1C2=CC(=NN3C2=NN=C3)C(F)(F)F)F
InChI
InChI=1S/C12H6F4N4/c13-8-3-1-7(2-4-8)9-5-10(12(14,15)16)19-20-6-17-18-11(9)20/h1-6H
InChIKey
MEONKPHGTKPVEE-UHFFFAOYSA-N
Compound name
8-(4-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.05286 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06014 158.3
[M+Na]+ 305.04208 171.8
[M-H]- 281.04558 156.9
[M+NH4]+ 300.08668 171.9
[M+K]+ 321.01602 164.9
[M+H-H2O]+ 265.05012 145.5
[M+HCOO]- 327.05106 173.9
[M+CH3COO]- 341.06671 169.5
[M+Na-2H]- 303.02753 164.5
[M]+ 282.05231 156.0
[M]- 282.05341 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.