CID 130538

2-hydroxyacetyl-7-acetylxanthone

Structural Information

Molecular Formula
C17H12O5
SMILES
CC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C(=O)CO
InChI
InChI=1S/C17H12O5/c1-9(19)10-2-4-15-12(6-10)17(21)13-7-11(14(20)8-18)3-5-16(13)22-15/h2-7,18H,8H2,1H3
InChIKey
QLBNFGXELMSQPL-UHFFFAOYSA-N
Compound name
2-acetyl-7-(2-hydroxyacetyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.06848 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07576 161.8
[M+Na]+ 319.05770 172.5
[M-H]- 295.06120 167.8
[M+NH4]+ 314.10230 177.4
[M+K]+ 335.03164 169.9
[M+H-H2O]+ 279.06574 154.8
[M+HCOO]- 341.06668 181.7
[M+CH3COO]- 355.08233 203.0
[M+Na-2H]- 317.04315 168.4
[M]+ 296.06793 167.7
[M]- 296.06903 167.7
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.