CID 3076211

Brn 3622072

Structural Information

Molecular Formula
C16H10FN5
SMILES
C1=CC=C(C=C1)C2=CC(=NN3C2=NN=N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C16H10FN5/c17-13-8-6-12(7-9-13)15-10-14(11-4-2-1-3-5-11)16-18-20-21-22(16)19-15/h1-10H
InChIKey
NVPCUWVDRNEODC-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-8-phenyltetrazolo[1,5-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.092 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09928 166.2
[M+Na]+ 314.08122 178.5
[M-H]- 290.08472 169.9
[M+NH4]+ 309.12582 177.2
[M+K]+ 330.05516 170.4
[M+H-H2O]+ 274.08926 153.3
[M+HCOO]- 336.09020 184.9
[M+CH3COO]- 350.10585 177.2
[M+Na-2H]- 312.06667 173.4
[M]+ 291.09145 166.8
[M]- 291.09255 166.8
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.