CID 6780

Anthraquinone

Structural Information

Molecular Formula

C₁₄H₈O₂

SMILES

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H

InChIKey

RZVHIXYEVGDQDX-UHFFFAOYSA-N

Compound name

anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 9172
References: 67709
Patents: 208.05243 Da
Monoisotopic Mass: 3.4
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]+	209.05971	139.9
[M+Na]+	231.04165	150.2
[M-H]-	207.04515	146.0
[M+NH4]+	226.08625	161.1
[M+K]+	247.01559	145.7
[M+H-H2O]+	191.04969	133.5
[M+HCOO]-	253.05063	161.9
[M+CH3COO]-	267.06628	154.0
[M+Na-2H]-	229.02710	148.9
[M]+	208.05188	140.2
[M]-	208.05298	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe