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

8
Patents

218.00137 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.008646 130.8
[M+Na]+ 240.990588 141.2
[M-H]- 216.994094 134.8
[M+NH4]+ 236.035193 142.7
[M+K]+ 256.964528 140.6
[M+H-H2O]+ 200.998630 120.5
[M+HCOO]- 262.999571 141.4
[M+CH3COO]- 277.015221 187.4
[M+Na-2H]- 238.976036 139.0
[M]+ 218.00082142 142.6
[M]- 218.00191858 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