CID 10059488

4,5-dichloro-2-methyl-6-nitro-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C5H3Cl2N3O3
SMILES
CN1C(=O)C(=C(C(=N1)[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C5H3Cl2N3O3/c1-9-5(11)3(7)2(6)4(8-9)10(12)13/h1H3
InChIKey
JGWYGJNFIGGGLI-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-methyl-6-nitropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

222.95514 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.96242 136.7
[M+Na]+ 245.94436 148.5
[M-H]- 221.94786 137.9
[M+NH4]+ 240.98896 153.3
[M+K]+ 261.91830 140.9
[M+H-H2O]+ 205.95240 136.4
[M+HCOO]- 267.95334 151.5
[M+CH3COO]- 281.96899 180.3
[M+Na-2H]- 243.92981 144.0
[M]+ 222.95459 139.7
[M]- 222.95569 139.7
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