CID 20357939

Schembl11577520

Structural Information

Molecular Formula
C20H14O5
SMILES
C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)O
InChI
InChI=1S/C20H14O5/c21-14-8-5-12(6-9-14)20(13-7-10-17(22)18(23)11-13)16-4-2-1-3-15(16)19(24)25-20/h1-11,21-23H
InChIKey
WBBREASDJJGPGN-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

334.08414 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09142 175.2
[M+Na]+ 357.07336 185.0
[M-H]- 333.07686 184.2
[M+NH4]+ 352.11796 190.3
[M+K]+ 373.04730 180.5
[M+H-H2O]+ 317.08140 168.2
[M+HCOO]- 379.08234 193.6
[M+CH3COO]- 393.09799 186.8
[M+Na-2H]- 355.05881 179.1
[M]+ 334.08359 176.1
[M]- 334.08469 176.1
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