CID 176513854

1,5-dihydroxy-2,3,8-trimethoxy-xanthen-9-one

Structural Information

Molecular Formula
C16H14O7
SMILES
COC1=C2C(=C(C=C1)O)OC3=CC(=C(C(=C3C2=O)O)OC)OC
InChI
InChI=1S/C16H14O7/c1-20-8-5-4-7(17)15-12(8)13(18)11-9(23-15)6-10(21-2)16(22-3)14(11)19/h4-6,17,19H,1-3H3
InChIKey
KCSJEJRFFIXLJU-UHFFFAOYSA-N
Compound name
1,5-dihydroxy-2,3,8-trimethoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.07394 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08122 166.0
[M+Na]+ 341.06316 178.7
[M-H]- 317.06666 171.6
[M+NH4]+ 336.10776 180.9
[M+K]+ 357.03710 177.5
[M+H-H2O]+ 301.07120 158.8
[M+HCOO]- 363.07214 186.4
[M+CH3COO]- 377.08779 206.0
[M+Na-2H]- 339.04861 173.1
[M]+ 318.07339 176.4
[M]- 318.07449 176.4
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.