CID 5491648

Aureol

Structural Information

Molecular Formula
C15H8O6
SMILES
C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=CC(=CC(=C43)O)O
InChI
InChI=1S/C15H8O6/c16-6-1-2-8-10(4-6)20-14-12(8)15(19)21-11-5-7(17)3-9(18)13(11)14/h1-5,16-18H
InChIKey
WIRRQLQRDSREEG-UHFFFAOYSA-N
Compound name
1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

40
Patents

284.03207 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.03935 155.1
[M+Na]+ 307.02129 169.8
[M-H]- 283.02479 161.9
[M+NH4]+ 302.06589 172.2
[M+K]+ 322.99523 167.3
[M+H-H2O]+ 267.02933 150.0
[M+HCOO]- 329.03027 175.3
[M+CH3COO]- 343.04592 169.5
[M+Na-2H]- 305.00674 164.6
[M]+ 284.03152 163.5
[M]- 284.03262 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.