CID 13815501

14796-48-6

Structural Information

Molecular Formula
C15H12O5
SMILES
C1=CC(=CC=C1C(C2C(=O)C3=C(O2)C=C(C=C3)O)O)O
InChI
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13(18)15-14(19)11-6-5-10(17)7-12(11)20-15/h1-7,13,15-18H
InChIKey
KOUAZSKCURTENM-UHFFFAOYSA-N
Compound name
6-hydroxy-2-[hydroxy-(4-hydroxyphenyl)methyl]-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

272.06848 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 158.5
[M+Na]+ 295.05770 170.8
[M+NH4]+ 290.10230 165.5
[M+K]+ 311.03164 168.3
[M-H]- 271.06120 161.7
[M+Na-2H]- 293.04315 162.7
[M]+ 272.06793 161.0
[M]- 272.06903 161.0
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

No patent data available for this compound.