CID 77309

3-methoxyxanthone

Structural Information

Molecular Formula
C14H10O3
SMILES
COC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C14H10O3/c1-16-9-6-7-11-13(8-9)17-12-5-3-2-4-10(12)14(11)15/h2-8H,1H3
InChIKey
HGWDKWJYTURSFE-UHFFFAOYSA-N
Compound name
3-methoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

143
Patents

226.06299 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07027 143.4
[M+Na]+ 249.05221 155.6
[M-H]- 225.05571 150.9
[M+NH4]+ 244.09681 162.9
[M+K]+ 265.02615 153.1
[M+H-H2O]+ 209.06025 136.6
[M+HCOO]- 271.06119 167.3
[M+CH3COO]- 285.07684 158.5
[M+Na-2H]- 247.03766 155.0
[M]+ 226.06244 149.4
[M]- 226.06354 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.