CID 254097

3,4-dichloro-5-methoxypyridazine

Structural Information

Molecular Formula
C5H4Cl2N2O
SMILES
COC1=CN=NC(=C1Cl)Cl
InChI
InChI=1S/C5H4Cl2N2O/c1-10-3-2-8-9-5(7)4(3)6/h2H,1H3
InChIKey
OVZWGIFIQJWITB-UHFFFAOYSA-N
Compound name
3,4-dichloro-5-methoxypyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.97006 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97734 128.7
[M+Na]+ 200.95928 144.5
[M+NH4]+ 196.00388 137.6
[M+K]+ 216.93322 137.3
[M-H]- 176.96278 130.0
[M+Na-2H]- 198.94473 136.8
[M]+ 177.96951 132.0
[M]- 177.97061 132.0
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