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

1
Patents

186.0196 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02688 124.9
[M+Na]+ 209.00882 133.4
[M-H]- 185.01232 129.2
[M+NH4]+ 204.05342 135.2
[M+K]+ 224.98276 135.0
[M+H-H2O]+ 169.01686 112.8
[M+HCOO]- 231.01780 140.9
[M+CH3COO]- 245.03345 181.3
[M+Na-2H]- 206.99427 134.1
[M]+ 186.01905 136.4
[M]- 186.02015 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