CID 5480344

1,3-dihydroxy-2,5-dimethoxyxanthone

Structural Information

Molecular Formula
C15H12O6
SMILES
COC1=CC=CC2=C1OC3=C(C2=O)C(=C(C(=C3)O)OC)O
InChI
InChI=1S/C15H12O6/c1-19-9-5-3-4-7-12(17)11-10(21-14(7)9)6-8(16)15(20-2)13(11)18/h3-6,16,18H,1-2H3
InChIKey
FSHBRPRDVOJBQZ-UHFFFAOYSA-N
Compound name
1,3-dihydroxy-2,5-dimethoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

288.0634 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.070676 158.4
[M+Na]+ 311.052618 171.1
[M-H]- 287.056124 163.9
[M+NH4]+ 306.097223 174.4
[M+K]+ 327.026558 169.2
[M+H-H2O]+ 271.060660 151.6
[M+HCOO]- 333.061601 179.1
[M+CH3COO]- 347.077251 199.2
[M+Na-2H]- 309.038066 166.6
[M]+ 288.06285142 166.7
[M]- 288.06394858 166.7
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

No patent data available for this compound.