CID 12196561

6-(3-nitrophenyl)-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C10H7N3O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=O)C=C2
InChI
InChI=1S/C10H7N3O3/c14-10-5-4-9(11-12-10)7-2-1-3-8(6-7)13(15)16/h1-6H,(H,12,14)
InChIKey
AFTJTAIZFQQYIN-UHFFFAOYSA-N
Compound name
3-(3-nitrophenyl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

217.04874 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.05602 142.0
[M+Na]+ 240.03796 150.3
[M-H]- 216.04146 145.5
[M+NH4]+ 235.08256 156.0
[M+K]+ 256.01190 142.2
[M+H-H2O]+ 200.04600 138.1
[M+HCOO]- 262.04694 165.0
[M+CH3COO]- 276.06259 177.6
[M+Na-2H]- 238.02341 151.8
[M]+ 217.04819 138.9
[M]- 217.04929 138.9
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