CID 81019

2,3-dimethylanthraquinone

Structural Information

Molecular Formula

C₁₆H₁₂O₂

SMILES

CC1=CC2=C(C=C1C)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H12O2/c1-9-7-13-14(8-10(9)2)16(18)12-6-4-3-5-11(12)15(13)17/h3-8H,1-2H3

InChIKey

KIJPZYXCIHZVGP-UHFFFAOYSA-N

Compound name

2,3-dimethylanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3988
Patents: 236.08372 Da
Monoisotopic Mass: 4.1
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]+	237.09100	150.2
[M+Na]+	259.07294	167.0
[M+NH4]+	254.11754	160.3
[M+K]+	275.04688	158.2
[M-H]-	235.07644	154.5
[M+Na-2H]-	257.05839	157.3
[M]+	236.08317	154.1
[M]-	236.08427	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe