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

No literature data available for this compound.

Patent stripe

patents stripe