CID 74334

1698-55-1

Structural Information

Molecular Formula
C10H7ClN2O2
SMILES
C1=CC=C(C=C1)N2C(=O)C=C(C(=O)N2)Cl
InChI
InChI=1S/C10H7ClN2O2/c11-8-6-9(14)13(12-10(8)15)7-4-2-1-3-5-7/h1-6H,(H,12,15)
InChIKey
ODPNBRBOAQEHKP-UHFFFAOYSA-N
Compound name
5-chloro-2-phenyl-1H-pyridazine-3,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

6
Patents

222.0196 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.026876 141.7
[M+Na]+ 245.008818 153.6
[M-H]- 221.012324 145.2
[M+NH4]+ 240.053423 157.7
[M+K]+ 260.982758 147.5
[M+H-H2O]+ 205.016860 134.4
[M+HCOO]- 267.017801 159.3
[M+CH3COO]- 281.033451 182.7
[M+Na-2H]- 242.994266 148.8
[M]+ 222.01905142 143.1
[M]- 222.02014858 143.1
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