CID 5281631

Euxanthone

Structural Information

Molecular Formula
C13H8O4
SMILES
C1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O
InChI
InChI=1S/C13H8O4/c14-7-4-5-10-8(6-7)13(16)12-9(15)2-1-3-11(12)17-10/h1-6,14-15H
InChIKey
KDXFPEKLLFWHMN-UHFFFAOYSA-N
Compound name
1,7-dihydroxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

50
References

142
Patents

228.04225 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04953 142.5
[M+Na]+ 251.03147 155.0
[M-H]- 227.03497 147.8
[M+NH4]+ 246.07607 160.8
[M+K]+ 267.00541 151.7
[M+H-H2O]+ 211.03951 136.5
[M+HCOO]- 273.04045 163.9
[M+CH3COO]- 287.05610 156.9
[M+Na-2H]- 249.01692 153.2
[M]+ 228.04170 146.5
[M]- 228.04280 146.5
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