CID 7018

Anthrone

Structural Information

Molecular Formula

C₁₄H₁₀O

SMILES

C1C2=CC=CC=C2C(=O)C3=CC=CC=C31

InChI

InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2

InChIKey

RJGDLRCDCYRQOQ-UHFFFAOYSA-N

Compound name

10H-anthracen-9-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 388
References: 48470
Patents: 194.07317 Da
Monoisotopic Mass: 3.7
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]+	195.080446	138.0
[M+Na]+	217.062388	147.2
[M-H]-	193.065894	143.6
[M+NH4]+	212.106993	159.6
[M+K]+	233.036328	142.6
[M+H-H2O]+	177.070430	131.5
[M+HCOO]-	239.071371	159.6
[M+CH3COO]-	253.087021	151.8
[M+Na-2H]-	215.047836	147.5
[M]+	194.07262142	137.1
[M]-	194.07371858	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe