CID 5318373

Dtxsid001261885

Structural Information

Molecular Formula
C16H14O6
SMILES
COC1=CC(=C2C(=C1)OC3=CC(=C(C=C3C2=O)OC)OC)O
InChI
InChI=1S/C16H14O6/c1-19-8-4-10(17)15-14(5-8)22-11-7-13(21-3)12(20-2)6-9(11)16(15)18/h4-7,17H,1-3H3
InChIKey
YBXGACGRJWDKHC-UHFFFAOYSA-N
Compound name
1-hydroxy-3,6,7-trimethoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

302.07904 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 162.7
[M+Na]+ 325.06826 175.5
[M-H]- 301.07176 169.5
[M+NH4]+ 320.11286 178.9
[M+K]+ 341.04220 174.1
[M+H-H2O]+ 285.07630 155.4
[M+HCOO]- 347.07724 184.6
[M+CH3COO]- 361.09289 204.4
[M+Na-2H]- 323.05371 170.8
[M]+ 302.07849 173.1
[M]- 302.07959 173.1
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.