CID 2782329

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

Structural Information

Molecular Formula
C4HCl2N3O3
SMILES
C1(=C(C(=NNC1=O)[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C4HCl2N3O3/c5-1-2(6)4(10)8-7-3(1)9(11)12/h(H,8,10)
InChIKey
SCNATHDZNWMBOX-UHFFFAOYSA-N
Compound name
4,5-dichloro-3-nitro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

208.9395 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.94678 132.2
[M+Na]+ 231.92872 143.1
[M-H]- 207.93222 131.9
[M+NH4]+ 226.97332 148.3
[M+K]+ 247.90266 134.8
[M+H-H2O]+ 191.93676 132.1
[M+HCOO]- 253.93770 145.9
[M+CH3COO]- 267.95335 173.5
[M+Na-2H]- 229.91417 140.3
[M]+ 208.93895 132.6
[M]- 208.94005 132.6
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