CID 329050

4,5-dichloro-2-(4-nitrophenyl)-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C10H5Cl2N3O3
SMILES
C1=CC(=CC=C1N2C(=O)C(=C(C=N2)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H5Cl2N3O3/c11-8-5-13-14(10(16)9(8)12)6-1-3-7(4-2-6)15(17)18/h1-5H
InChIKey
QARILIFILZKMIE-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-(4-nitrophenyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

13
Patents

284.9708 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.97808 155.1
[M+Na]+ 307.96002 165.7
[M-H]- 283.96352 159.0
[M+NH4]+ 303.00462 168.6
[M+K]+ 323.93396 156.5
[M+H-H2O]+ 267.96806 152.4
[M+HCOO]- 329.96900 169.4
[M+CH3COO]- 343.98465 191.0
[M+Na-2H]- 305.94547 162.2
[M]+ 284.97025 157.7
[M]- 284.97135 157.7
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