CID 253955

2,3-dimethoxyxanthen-9-one

Structural Information

Molecular Formula
C15H12O4
SMILES
COC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3O2)OC
InChI
InChI=1S/C15H12O4/c1-17-13-7-10-12(8-14(13)18-2)19-11-6-4-3-5-9(11)15(10)16/h3-8H,1-2H3
InChIKey
FWCWUPRCWDSQEN-UHFFFAOYSA-N
Compound name
2,3-dimethoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

2
Patents

256.07355 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.080826 151.6
[M+Na]+ 279.062768 164.0
[M-H]- 255.066274 159.2
[M+NH4]+ 274.107373 170.0
[M+K]+ 295.036708 162.0
[M+H-H2O]+ 239.070810 144.4
[M+HCOO]- 301.071751 175.2
[M+CH3COO]- 315.087401 196.7
[M+Na-2H]- 277.048216 161.9
[M]+ 256.07300142 159.7
[M]- 256.07409858 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe