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

17
Patents

160.00395 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.01123 125.0
[M+Na]+ 182.99317 136.5
[M-H]- 158.99667 125.3
[M+NH4]+ 178.03777 143.8
[M+K]+ 198.96711 133.0
[M+H-H2O]+ 143.00121 119.4
[M+HCOO]- 205.00215 142.8
[M+CH3COO]- 219.01780 171.4
[M+Na-2H]- 180.97862 133.1
[M]+ 160.00340 127.3
[M]- 160.00450 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