CID 54706064

121582-62-5

Structural Information

Molecular Formula

C₁₁H₈N₂O₄

SMILES

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

InChI

InChI=1S/C11H8N2O4/c14-8-6-9(15)13(12-10(8)11(16)17)7-4-2-1-3-5-7/h1-6,14H,(H,16,17)

InChIKey

MIJLFJUERDLGKF-UHFFFAOYSA-N

Compound name

4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 232.0484 Da
Monoisotopic Mass: 1.4
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]+	233.05568	148.1
[M+Na]+	255.03762	162.1
[M+NH4]+	250.08222	153.9
[M+K]+	271.01156	157.5
[M-H]-	231.04112	149.1
[M+Na-2H]-	253.02307	155.4
[M]+	232.04785	150.1
[M]-	232.04895	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe