CID 71034

2-methoxyxanthen-9-one

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

COC1=CC2=C(C=C1)OC3=CC=CC=C3C2=O

InChI

InChI=1S/C14H10O3/c1-16-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)17-13/h2-8H,1H3

InChIKey

DVZCOQQFPCMIPO-UHFFFAOYSA-N

Compound name

2-methoxyxanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 822
Patents: 226.06299 Da
Monoisotopic Mass: 3.6
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]+	227.07027	143.7
[M+Na]+	249.05221	161.9
[M+NH4]+	244.09681	153.9
[M+K]+	265.02615	153.6
[M-H]-	225.05571	149.5
[M+Na-2H]-	247.03766	152.7
[M]+	226.06244	148.3
[M]-	226.06354	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe