CID 150862

1,4-dihydroanthraquinone

Structural Information

Molecular Formula

C₁₄H₁₀O₂

SMILES

C1C=CCC2=C1C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H10O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-6H,7-8H2

InChIKey

ZVALGBPJYGUWIS-UHFFFAOYSA-N

Compound name

1,4-dihydroanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 217
Patents: 210.06808 Da
Monoisotopic Mass: 2.6
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]+	211.07536	141.1
[M+Na]+	233.05730	150.4
[M-H]-	209.06080	146.8
[M+NH4]+	228.10190	162.2
[M+K]+	249.03124	146.1
[M+H-H2O]+	193.06534	134.8
[M+HCOO]-	255.06628	161.6
[M+CH3COO]-	269.08193	154.7
[M+Na-2H]-	231.04275	149.1
[M]+	210.06753	140.0
[M]-	210.06863	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe