CID 10535981

6-chloro-3-nitroimidazo[1,2-b]pyridazine

Structural Information

Molecular Formula
C6H3ClN4O2
SMILES
C1=CC(=NN2C1=NC=C2[N+](=O)[O-])Cl
InChI
InChI=1S/C6H3ClN4O2/c7-4-1-2-5-8-3-6(11(12)13)10(5)9-4/h1-3H
InChIKey
IJEZMDPWGDWYKJ-UHFFFAOYSA-N
Compound name
6-chloro-3-nitroimidazo[1,2-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

197.99445 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.00173 133.7
[M+Na]+ 220.98367 145.3
[M-H]- 196.98717 135.2
[M+NH4]+ 216.02827 152.0
[M+K]+ 236.95761 137.8
[M+H-H2O]+ 180.99171 131.2
[M+HCOO]- 242.99265 153.7
[M+CH3COO]- 257.00830 175.3
[M+Na-2H]- 218.96912 144.6
[M]+ 197.99390 136.1
[M]- 197.99500 136.1
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