CID 6410712

Brn 3624652

Structural Information

Molecular Formula
C17H11FN4O
SMILES
C1=CC=C(C=C1)C2=CC(=NN3C2=NNC3=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C17H11FN4O/c18-13-8-6-12(7-9-13)15-10-14(11-4-2-1-3-5-11)16-19-20-17(23)22(16)21-15/h1-10H,(H,20,23)
InChIKey
FUMAICMBMANMJA-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-8-phenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.09167 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09895 169.5
[M+Na]+ 329.08089 181.9
[M-H]- 305.08439 173.7
[M+NH4]+ 324.12549 180.9
[M+K]+ 345.05483 173.3
[M+H-H2O]+ 289.08893 157.7
[M+HCOO]- 351.08987 188.2
[M+CH3COO]- 365.10552 180.5
[M+Na-2H]- 327.06634 175.1
[M]+ 306.09112 169.4
[M]- 306.09222 169.4
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.