CID 3056291

Brn 1137866

Structural Information

Molecular Formula
C17H11FN4
SMILES
C1=CC=C(C=C1)C2=CC(=NN3C2=NN=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C17H11FN4/c18-14-8-6-13(7-9-14)16-10-15(12-4-2-1-3-5-12)17-20-19-11-22(17)21-16/h1-11H
InChIKey
WGQASIOXFMKXRA-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-8-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.09677 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10405 165.8
[M+Na]+ 313.08599 177.7
[M-H]- 289.08949 170.8
[M+NH4]+ 308.13059 178.3
[M+K]+ 329.05993 169.8
[M+H-H2O]+ 273.09403 153.5
[M+HCOO]- 335.09497 185.7
[M+CH3COO]- 349.11062 177.3
[M+Na-2H]- 311.07144 172.6
[M]+ 290.09622 166.3
[M]- 290.09732 166.3
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.