CID 459279

(m-hydroxyanilino)-p-quinone

Structural Information

Molecular Formula

C₁₂H₉NO₃

SMILES

C1=CC(=CC(=C1)O)NC2=CC(=O)C=CC2=O

InChI

InChI=1S/C12H9NO3/c14-9-3-1-2-8(6-9)13-11-7-10(15)4-5-12(11)16/h1-7,13-14H

InChIKey

IRBGOXLIXFCSSA-UHFFFAOYSA-N

Compound name

2-(3-hydroxyanilino)cyclohexa-2,5-diene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.05824 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]+	216.06552	143.0
[M+Na]+	238.04746	151.4
[M-H]-	214.05096	149.1
[M+NH4]+	233.09206	160.6
[M+K]+	254.02140	147.8
[M+H-H2O]+	198.05550	136.2
[M+HCOO]-	260.05644	167.2
[M+CH3COO]-	274.07209	186.8
[M+Na-2H]-	236.03291	149.0
[M]+	215.05769	141.5
[M]-	215.05879	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe