CID 5376013

3-hydroxyxanthen-9-one

Structural Information

Molecular Formula
C13H8O3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)O
InChI
InChI=1S/C13H8O3/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7,14H
InChIKey
XCJHDJAODLKGLG-UHFFFAOYSA-N
Compound name
3-hydroxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

469
Patents

212.04735 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.054626 138.8
[M+Na]+ 235.036568 151.0
[M-H]- 211.040074 145.1
[M+NH4]+ 230.081173 158.3
[M+K]+ 251.010508 147.9
[M+H-H2O]+ 195.044610 132.6
[M+HCOO]- 257.045551 161.6
[M+CH3COO]- 271.061201 153.7
[M+Na-2H]- 233.022016 150.6
[M]+ 212.04680142 142.7
[M]- 212.04789858 142.7
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