CID 164886

3(2h)-pyridazinone, 6-chloro-4-methyl-

Structural Information

Molecular Formula
C5H5ClN2O
SMILES
CC1=CC(=NNC1=O)Cl
InChI
InChI=1S/C5H5ClN2O/c1-3-2-4(6)7-8-5(3)9/h2H,1H3,(H,8,9)
InChIKey
VCFUTDUJFGHTKM-UHFFFAOYSA-N
Compound name
3-chloro-5-methyl-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
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 122.3
[M+Na]+ 166.99825 133.9
[M-H]- 143.00175 122.6
[M+NH4]+ 162.04285 141.8
[M+K]+ 182.97219 129.9
[M+H-H2O]+ 127.00629 116.9
[M+HCOO]- 189.00723 139.8
[M+CH3COO]- 203.02288 169.3
[M+Na-2H]- 164.98370 130.3
[M]+ 144.00848 123.1
[M]- 144.00958 123.1
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