CID 74333

1698-54-0

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

C1=CC=C(C=C1)N2C(=O)C=CC(=O)N2

InChI

InChI=1S/C10H8N2O2/c13-9-6-7-10(14)12(11-9)8-4-2-1-3-5-8/h1-7H,(H,11,13)

InChIKey

KJEBAQNNTMWJJI-UHFFFAOYSA-N

Compound name

2-phenyl-1H-pyridazine-3,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 175
Patents: 188.05858 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	189.065856	136.3
[M+Na]+	211.047798	146.6
[M-H]-	187.051304	139.8
[M+NH4]+	206.092403	152.6
[M+K]+	227.021738	142.2
[M+H-H2O]+	171.055840	128.3
[M+HCOO]-	233.056781	158.6
[M+CH3COO]-	247.072431	177.7
[M+Na-2H]-	209.033246	144.7
[M]+	188.05803142	135.3
[M]-	188.05912858	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe