CID 3770603

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

Structural Information

Molecular Formula
C5H2BrClN4
SMILES
C1=CC(=NN2C1=NN=C2Br)Cl
InChI
InChI=1S/C5H2BrClN4/c6-5-9-8-4-2-1-3(7)10-11(4)5/h1-2H
InChIKey
CGCZYGSVCBHXEC-UHFFFAOYSA-N
Compound name
3-bromo-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

231.91515 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.92243 130.8
[M+Na]+ 254.90437 148.2
[M-H]- 230.90787 134.1
[M+NH4]+ 249.94897 151.5
[M+K]+ 270.87831 136.0
[M+H-H2O]+ 214.91241 130.2
[M+HCOO]- 276.91335 146.9
[M+CH3COO]- 290.92900 147.1
[M+Na-2H]- 252.88982 141.9
[M]+ 231.91460 153.3
[M]- 231.91570 153.3
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

patents stripe