CID 6407182

6-chloro-2h,3h-[1,2,4]triazolo[4,3-b]pyridazin-3-one

Structural Information

Molecular Formula
C5H3ClN4O
SMILES
C1=CC(=NN2C1=NNC2=O)Cl
InChI
InChI=1S/C5H3ClN4O/c6-3-1-2-4-7-8-5(11)10(4)9-3/h1-2H,(H,8,11)
InChIKey
OXXDECZCLRNVKK-UHFFFAOYSA-N
Compound name
6-chloro-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

169.99954 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.006816 127.9
[M+Na]+ 192.988758 141.8
[M-H]- 168.992264 126.8
[M+NH4]+ 188.033363 146.3
[M+K]+ 208.962698 136.8
[M+H-H2O]+ 152.996800 120.5
[M+HCOO]- 214.997741 144.6
[M+CH3COO]- 229.013391 141.8
[M+Na-2H]- 190.974206 137.0
[M]+ 169.99899142 130.7
[M]- 170.00008858 130.7
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