CID 121215465

3-chloro-6-(oxetan-3-yloxy)pyridazine

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
C1C(CO1)OC2=NN=C(C=C2)Cl
InChI
InChI=1S/C7H7ClN2O2/c8-6-1-2-7(10-9-6)12-5-3-11-4-5/h1-2,5H,3-4H2
InChIKey
MCUNCIDDSZANLJ-UHFFFAOYSA-N
Compound name
3-chloro-6-(oxetan-3-yloxy)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

186.0196 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.026876 124.9
[M+Na]+ 209.008818 133.4
[M-H]- 185.012324 129.2
[M+NH4]+ 204.053423 135.2
[M+K]+ 224.982758 135.0
[M+H-H2O]+ 169.016860 112.8
[M+HCOO]- 231.017801 140.9
[M+CH3COO]- 245.033451 181.3
[M+Na-2H]- 206.994266 134.1
[M]+ 186.01905142 136.4
[M]- 186.02014858 136.4
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