CID 6772

2-ethylanthraquinone

Structural Information

Molecular Formula

C₁₆H₁₂O₂

SMILES

CCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3

InChIKey

SJEBAWHUJDUKQK-UHFFFAOYSA-N

Compound name

2-ethylanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 14
References: 47998
Patents: 236.08372 Da
Monoisotopic Mass: 4.4
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]+	237.09100	149.3
[M+Na]+	259.07294	159.6
[M-H]-	235.07644	155.3
[M+NH4]+	254.11754	169.6
[M+K]+	275.04688	154.7
[M+H-H2O]+	219.08098	142.6
[M+HCOO]-	281.08192	170.4
[M+CH3COO]-	295.09757	162.8
[M+Na-2H]-	257.05839	156.3
[M]+	236.08317	150.6
[M]-	236.08427	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe