CID 4071081

6-chloro-2-(4-nitro-phenyl)-2h-pyridazin-3-one

Structural Information

Molecular Formula
C10H6ClN3O3
SMILES
C1=CC(=CC=C1N2C(=O)C=CC(=N2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H6ClN3O3/c11-9-5-6-10(15)13(12-9)7-1-3-8(4-2-7)14(16)17/h1-6H
InChIKey
GLWFGRAIKWTQCK-UHFFFAOYSA-N
Compound name
6-chloro-2-(4-nitrophenyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.00977 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.01705 148.7
[M+Na]+ 273.99899 158.7
[M-H]- 250.00249 153.4
[M+NH4]+ 269.04359 163.1
[M+K]+ 289.97293 150.1
[M+H-H2O]+ 234.00703 145.4
[M+HCOO]- 296.00797 168.4
[M+CH3COO]- 310.02362 185.2
[M+Na-2H]- 271.98444 157.6
[M]+ 251.00922 149.9
[M]- 251.01032 149.9
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