CID 5281656

Norathyriol

Structural Information

Molecular Formula
C13H8O6
SMILES
C1=C(C=C2C(=C1O)C(=O)C3=CC(=C(C=C3O2)O)O)O
InChI
InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H
InChIKey
ZHTQCPCDXKMMLU-UHFFFAOYSA-N
Compound name
1,3,6,7-tetrahydroxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

51
References

311
Patents

260.03207 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03935 149.8
[M+Na]+ 283.02129 162.6
[M-H]- 259.02479 153.0
[M+NH4]+ 278.06589 165.6
[M+K]+ 298.99523 159.4
[M+H-H2O]+ 243.02933 144.0
[M+HCOO]- 305.03027 168.2
[M+CH3COO]- 319.04592 189.1
[M+Na-2H]- 281.00674 158.2
[M]+ 260.03152 154.0
[M]- 260.03262 154.0
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