CID 5479780

9h-xanthen-9-one, 1,8-dihydroxy-3-methoxy-

Structural Information

Molecular Formula
C14H10O5
SMILES
COC1=CC(=C2C(=C1)OC3=CC=CC(=C3C2=O)O)O
InChI
InChI=1S/C14H10O5/c1-18-7-5-9(16)13-11(6-7)19-10-4-2-3-8(15)12(10)14(13)17/h2-6,15-16H,1H3
InChIKey
OWROAXRUPFOHOO-UHFFFAOYSA-N
Compound name
1,8-dihydroxy-3-methoxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.05283 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06011 150.5
[M+Na]+ 281.04205 163.2
[M-H]- 257.04555 156.0
[M+NH4]+ 276.08665 167.7
[M+K]+ 297.01599 160.5
[M+H-H2O]+ 241.05009 144.2
[M+HCOO]- 303.05103 171.6
[M+CH3COO]- 317.06668 192.6
[M+Na-2H]- 279.02750 159.9
[M]+ 258.05228 156.7
[M]- 258.05338 156.7
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

No patent data available for this compound.