CID 10424747

4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-2h-furan-5-one

Structural Information

Molecular Formula
C17H14O5
SMILES
C1=CC(=CC=C1CC2C(=C(C(=O)O2)O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C17H14O5/c18-12-5-1-10(2-6-12)9-14-15(16(20)17(21)22-14)11-3-7-13(19)8-4-11/h1-8,14,18-20H,9H2
InChIKey
YFDAFIBRAHBXFL-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

298.08414 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09142 165.3
[M+Na]+ 321.07336 173.9
[M-H]- 297.07686 173.1
[M+NH4]+ 316.11796 179.1
[M+K]+ 337.04730 170.2
[M+H-H2O]+ 281.08140 158.6
[M+HCOO]- 343.08234 185.1
[M+CH3COO]- 357.09799 195.9
[M+Na-2H]- 319.05881 166.8
[M]+ 298.08359 165.9
[M]- 298.08469 165.9
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