CID 5377089

1,3,8-trihydroxyxanthone

Structural Information

Molecular Formula
C13H8O5
SMILES
C1=CC(=C2C(=C1)OC3=CC(=CC(=C3C2=O)O)O)O
InChI
InChI=1S/C13H8O5/c14-6-4-8(16)12-10(5-6)18-9-3-1-2-7(15)11(9)13(12)17/h1-5,14-16H
InChIKey
USKKTSTUBVKGIU-UHFFFAOYSA-N
Compound name
1,3,8-trihydroxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6
Patents

244.03717 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04445 146.2
[M+Na]+ 267.02639 158.9
[M-H]- 243.02989 150.5
[M+NH4]+ 262.07099 163.2
[M+K]+ 283.00033 155.6
[M+H-H2O]+ 227.03443 140.3
[M+HCOO]- 289.03537 166.1
[M+CH3COO]- 303.05102 160.0
[M+Na-2H]- 265.01184 155.7
[M]+ 244.03662 150.3
[M]- 244.03772 150.3
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

patents stripe