CID 10015450

3,4,5,6-tetrahydroxyxanthone

Structural Information

Molecular Formula
C13H8O6
SMILES
C1=CC(=C(C2=C1C(=O)C3=C(O2)C(=C(C=C3)O)O)O)O
InChI
InChI=1S/C13H8O6/c14-7-3-1-5-9(16)6-2-4-8(15)11(18)13(6)19-12(5)10(7)17/h1-4,14-15,17-18H
InChIKey
MUWSBAZQOGXKJK-UHFFFAOYSA-N
Compound name
3,4,5,6-tetrahydroxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

54
Patents

260.03207 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.039346 149.8
[M+Na]+ 283.021288 162.6
[M-H]- 259.024794 153.0
[M+NH4]+ 278.065893 165.6
[M+K]+ 298.995228 159.4
[M+H-H2O]+ 243.029330 144.0
[M+HCOO]- 305.030271 168.2
[M+CH3COO]- 319.045921 189.1
[M+Na-2H]- 281.006736 158.2
[M]+ 260.03152142 154.0
[M]- 260.03261858 154.0
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