CID 3076122

Brn 3622137

Structural Information

Molecular Formula
C16H10ClN5
SMILES
C1=CC=C(C=C1)C2=CC(=NN3C2=NN=N3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C16H10ClN5/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
CHULVOHQSHYFBJ-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-8-phenyltetrazolo[1,5-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.06247 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06975 169.2
[M+Na]+ 330.05169 181.9
[M-H]- 306.05519 173.7
[M+NH4]+ 325.09629 180.4
[M+K]+ 346.02563 173.3
[M+H-H2O]+ 290.05973 156.9
[M+HCOO]- 352.06067 184.1
[M+CH3COO]- 366.07632 180.2
[M+Na-2H]- 328.03714 176.3
[M]+ 307.06192 172.6
[M]- 307.06302 172.6
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.