CID 15588

Alizarine yellow r

Structural Information

Molecular Formula

C₁₃H₉N₃O₅

SMILES

C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O5/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21/h1-7,17H,(H,18,19)

InChIKey

YVJPMMYYRNHJAU-UHFFFAOYSA-N

Compound name

2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 1745
Patents: 287.05423 Da
Monoisotopic Mass: 4.1
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]+	288.06151	160.0
[M+Na]+	310.04345	172.4
[M+NH4]+	305.08805	166.1
[M+K]+	326.01739	170.1
[M-H]-	286.04695	165.0
[M+Na-2H]-	308.02890	167.5
[M]+	287.05368	162.8
[M]-	287.05478	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe