CID 118948800

3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine

Structural Information

Molecular Formula
C8H8Cl2N2O
SMILES
CC1(COC1)C2=CC(=NN=C2Cl)Cl
InChI
InChI=1S/C8H8Cl2N2O/c1-8(3-13-4-8)5-2-6(9)11-12-7(5)10/h2H,3-4H2,1H3
InChIKey
ROAMQBBJCYIGJE-UHFFFAOYSA-N
Compound name
3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

218.00137 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00865 130.8
[M+Na]+ 240.99059 141.2
[M-H]- 216.99409 134.8
[M+NH4]+ 236.03519 142.7
[M+K]+ 256.96453 140.6
[M+H-H2O]+ 200.99863 120.5
[M+HCOO]- 262.99957 141.4
[M+CH3COO]- 277.01522 187.4
[M+Na-2H]- 238.97604 139.0
[M]+ 218.00082 142.6
[M]- 218.00192 142.6
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