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]+ 280.908556 124.9
[M+Na]+ 302.890498 131.7
[M-H]- 278.894004 118.2
[M+NH4]+ 297.935103 139.2
[M+K]+ 318.864438 133.3
[M+H-H2O]+ 262.898540 113.9
[M+HCOO]- 324.899481 138.1
[M+CH3COO]- 338.915131 135.4
[M+Na-2H]- 300.875946 123.4
[M]+ 279.90073142 126.4
[M]- 279.90182858 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.