CID 164871

6-chloro-5-methylpyridazin-3(2h)-one

Structural Information

Molecular Formula
C5H5ClN2O
SMILES
CC1=CC(=O)NN=C1Cl
InChI
InChI=1S/C5H5ClN2O/c1-3-2-4(9)7-8-5(3)6/h2H,1H3,(H,7,9)
InChIKey
UGDOVAWXAHZLEV-UHFFFAOYSA-N
Compound name
3-chloro-4-methyl-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

144.00903 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.01631 123.1
[M+Na]+ 166.99825 138.0
[M+NH4]+ 162.04285 131.4
[M+K]+ 182.97219 131.6
[M-H]- 143.00175 123.8
[M+Na-2H]- 164.98370 130.5
[M]+ 144.00848 125.6
[M]- 144.00958 125.6
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