CID 820667

6-chloro-5-methoxy-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C5H5ClN2O2
SMILES
COC1=CC(=O)NN=C1Cl
InChI
InChI=1S/C5H5ClN2O2/c1-10-3-2-4(9)7-8-5(3)6/h2H,1H3,(H,7,9)
InChIKey
FYTFUYWXLRXRAZ-UHFFFAOYSA-N
Compound name
3-chloro-4-methoxy-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

160.00395 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.011226 125.0
[M+Na]+ 182.993168 136.5
[M-H]- 158.996674 125.3
[M+NH4]+ 178.037773 143.8
[M+K]+ 198.967108 133.0
[M+H-H2O]+ 143.001210 119.4
[M+HCOO]- 205.002151 142.8
[M+CH3COO]- 219.017801 171.4
[M+Na-2H]- 180.978616 133.1
[M]+ 160.00340142 127.3
[M]- 160.00449858 127.3
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