CID 636472

Anigorufone

Structural Information

Molecular Formula

C₁₉H₁₂O₂

SMILES

C1=CC=C(C=C1)C2=C3C4=C(C=CC=C4C=C(C3=O)O)C=C2

InChI

InChI=1S/C19H12O2/c20-16-11-14-8-4-7-13-9-10-15(12-5-2-1-3-6-12)18(17(13)14)19(16)21/h1-11,20H

InChIKey

ACJJXELQAJQSLK-UHFFFAOYSA-N

Compound name

2-hydroxy-9-phenylphenalen-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 11
Patents: 272.08374 Da
Monoisotopic Mass: 4.7
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]+	273.091016	160.6
[M+Na]+	295.072958	170.0
[M-H]-	271.076464	167.6
[M+NH4]+	290.117563	178.4
[M+K]+	311.046898	163.8
[M+H-H2O]+	255.081000	152.6
[M+HCOO]-	317.081941	180.3
[M+CH3COO]-	331.097591	172.8
[M+Na-2H]-	293.058406	168.2
[M]+	272.08319142	161.0
[M]-	272.08428858	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe