CID 1481296

147920-37-4

Structural Information

Molecular Formula

C₁₁H₈N₂O₃

SMILES

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

InChI

InChI=1S/C11H8N2O3/c14-9-6-7-13(12-10(9)11(15)16)8-4-2-1-3-5-8/h1-7H,(H,15,16)

InChIKey

GNPMPJJBVVFDGP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 4
Patents: 216.0535 Da
Monoisotopic Mass: 2.1
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]+	217.06078	144.4
[M+Na]+	239.04272	159.0
[M+NH4]+	234.08732	151.1
[M+K]+	255.01666	153.4
[M-H]-	215.04622	146.3
[M+Na-2H]-	237.02817	153.0
[M]+	216.05295	146.9
[M]-	216.05405	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe