CID 5314863

Parvifuran

Structural Information

Molecular Formula

C₁₆H₁₄O₃

SMILES

CC1=C(OC2=CC(=C(C=C12)O)OC)C3=CC=CC=C3

InChI

InChI=1S/C16H14O3/c1-10-12-8-13(17)15(18-2)9-14(12)19-16(10)11-6-4-3-5-7-11/h3-9,17H,1-2H3

InChIKey

RICORHDCMSYMOL-UHFFFAOYSA-N

Compound name

6-methoxy-3-methyl-2-phenyl-1-benzofuran-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.0943 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.10158	154.6
[M+Na]+	277.08352	166.0
[M-H]-	253.08702	163.2
[M+NH4]+	272.12812	173.3
[M+K]+	293.05746	162.9
[M+H-H2O]+	237.09156	148.5
[M+HCOO]-	299.09250	178.6
[M+CH3COO]-	313.10815	169.0
[M+Na-2H]-	275.06897	160.5
[M]+	254.09375	160.1
[M]-	254.09485	160.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.