CID 118703159

6-chloro-3-iodo-[1,2,4]triazolo[4,3-b]pyridazine

Structural Information

Molecular Formula
C5H2ClIN4
SMILES
C1=CC(=NN2C1=NN=C2I)Cl
InChI
InChI=1S/C5H2ClIN4/c6-3-1-2-4-8-9-5(7)11(4)10-3/h1-2H
InChIKey
XNSXFRSSCBPJMY-UHFFFAOYSA-N
Compound name
6-chloro-3-iodo-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.90128 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.90856 124.9
[M+Na]+ 302.89050 131.7
[M-H]- 278.89400 118.2
[M+NH4]+ 297.93510 139.2
[M+K]+ 318.86444 133.3
[M+H-H2O]+ 262.89854 113.9
[M+HCOO]- 324.89948 138.1
[M+CH3COO]- 338.91513 135.4
[M+Na-2H]- 300.87595 123.4
[M]+ 279.90073 126.4
[M]- 279.90183 126.4
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.