CID 11287584

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

Structural Information

Molecular Formula
C8H7ClN4O2
SMILES
CCOC(=O)C1=NN=C2N1N=C(C=C2)Cl
InChI
InChI=1S/C8H7ClN4O2/c1-2-15-8(14)7-11-10-6-4-3-5(9)12-13(6)7/h3-4H,2H2,1H3
InChIKey
ZDUBOXQUQKOFHJ-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

226.02576 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03304 143.3
[M+Na]+ 249.01498 156.0
[M-H]- 225.01848 143.4
[M+NH4]+ 244.05958 160.1
[M+K]+ 264.98892 152.2
[M+H-H2O]+ 209.02302 135.1
[M+HCOO]- 271.02396 159.7
[M+CH3COO]- 285.03961 186.1
[M+Na-2H]- 247.00043 150.2
[M]+ 226.02521 149.7
[M]- 226.02631 149.7
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