CID 313624

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

Structural Information

Molecular Formula
C5H3ClN4
SMILES
C1=CC(=NN2C1=NN=C2)Cl
InChI
InChI=1S/C5H3ClN4/c6-4-1-2-5-8-7-3-10(5)9-4/h1-3H
InChIKey
OUNXXBYNOUBNPF-UHFFFAOYSA-N
Compound name
6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

140
Patents

154.00462 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.011896 124.5
[M+Na]+ 176.993838 137.7
[M-H]- 152.997344 124.2
[M+NH4]+ 172.038443 144.0
[M+K]+ 192.967778 133.7
[M+H-H2O]+ 137.001880 116.4
[M+HCOO]- 199.002821 142.2
[M+CH3COO]- 213.018471 138.8
[M+Na-2H]- 174.979286 134.8
[M]+ 154.00407142 127.9
[M]- 154.00516858 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe