CID 86096014

3,6,7-trihydroxy-1-methoxyxanthone

Structural Information

Molecular Formula
C14H10O6
SMILES
COC1=CC(=CC2=C1C(=O)C3=CC(=C(C=C3O2)O)O)O
InChI
InChI=1S/C14H10O6/c1-19-11-2-6(15)3-12-13(11)14(18)7-4-8(16)9(17)5-10(7)20-12/h2-5,15-17H,1H3
InChIKey
NHQMTEDPFLHWEG-UHFFFAOYSA-N
Compound name
3,6,7-trihydroxy-1-methoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

274.04773 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05501 154.0
[M+Na]+ 297.03695 166.8
[M-H]- 273.04045 158.4
[M+NH4]+ 292.08155 170.0
[M+K]+ 313.01089 164.3
[M+H-H2O]+ 257.04499 147.8
[M+HCOO]- 319.04593 173.6
[M+CH3COO]- 333.06158 194.1
[M+Na-2H]- 295.02240 162.4
[M]+ 274.04718 160.3
[M]- 274.04828 160.3
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.