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
2
Annotation Hits

14
References

29
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 156.8
[M+Na]+ 307.02129 173.9
[M+NH4]+ 302.06589 164.8
[M+K]+ 322.99523 170.3
[M-H]- 283.02479 161.6
[M+Na-2H]- 305.00674 161.1
[M]+ 284.03152 160.8
[M]- 284.03262 160.8
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