CID 118726652

5-(5-hydroxy-6-methoxy-2-benzofuranyl)-1,3-benzenediol

Structural Information

Molecular Formula
C15H12O5
SMILES
COC1=C(C=C2C=C(OC2=C1)C3=CC(=CC(=C3)O)O)O
InChI
InChI=1S/C15H12O5/c1-19-15-7-14-9(4-12(15)18)5-13(20-14)8-2-10(16)6-11(17)3-8/h2-7,16-18H,1H3
InChIKey
UUWOGANMKVBGHH-UHFFFAOYSA-N
Compound name
5-(5-hydroxy-6-methoxy-1-benzofuran-2-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

272.06848 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 156.4
[M+Na]+ 295.05770 167.7
[M-H]- 271.06120 162.8
[M+NH4]+ 290.10230 172.9
[M+K]+ 311.03164 164.6
[M+H-H2O]+ 255.06574 150.7
[M+HCOO]- 317.06668 178.0
[M+CH3COO]- 331.08233 191.7
[M+Na-2H]- 293.04315 161.6
[M]+ 272.06793 161.3
[M]- 272.06903 161.3
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