CID 44260109

2'-hydroxy-4'-methoxy-5,6-methylenedioxy-2-phenylbenzofuran

Structural Information

Molecular Formula
C16H12O5
SMILES
COC1=CC(=C(C=C1)C2=CC3=CC4=C(C=C3O2)OCO4)O
InChI
InChI=1S/C16H12O5/c1-18-10-2-3-11(12(17)6-10)14-4-9-5-15-16(20-8-19-15)7-13(9)21-14/h2-7,17H,8H2,1H3
InChIKey
ZSGMWCFFXCOFPM-UHFFFAOYSA-N
Compound name
2-furo[2,3-f][1,3]benzodioxol-6-yl-5-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.06848 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07576 158.3
[M+Na]+ 307.05770 169.8
[M-H]- 283.06120 169.2
[M+NH4]+ 302.10230 175.5
[M+K]+ 323.03164 169.6
[M+H-H2O]+ 267.06574 154.1
[M+HCOO]- 329.06668 179.7
[M+CH3COO]- 343.08233 172.8
[M+Na-2H]- 305.04315 164.6
[M]+ 284.06793 166.2
[M]- 284.06903 166.2
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.