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
1
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]+ 223.02688 141.7
[M+Na]+ 245.00882 153.6
[M-H]- 221.01232 145.2
[M+NH4]+ 240.05342 157.7
[M+K]+ 260.98276 147.5
[M+H-H2O]+ 205.01686 134.4
[M+HCOO]- 267.01780 159.3
[M+CH3COO]- 281.03345 182.7
[M+Na-2H]- 242.99427 148.8
[M]+ 222.01905 143.1
[M]- 222.02015 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.