CID 391074

Nsc689608

Structural Information

Molecular Formula

C₁₅H₁₂O₃

SMILES

C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC=CC=C24

InChI

InChI=1S/C15H12O3/c16-9-5-6-11-14(7-9)17-8-12-10-3-1-2-4-13(10)18-15(11)12/h1-7,12,15-16H,8H2

InChIKey

LTFADDCIWASCTO-UHFFFAOYSA-N

Compound name

6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 240.07864 Da
Monoisotopic Mass: 2.6
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]+	241.08592	147.7
[M+Na]+	263.06786	157.1
[M-H]-	239.07136	154.4
[M+NH4]+	258.11246	167.1
[M+K]+	279.04180	154.7
[M+H-H2O]+	223.07590	142.2
[M+HCOO]-	285.07684	164.8
[M+CH3COO]-	299.09249	160.9
[M+Na-2H]-	261.05331	156.0
[M]+	240.07809	148.8
[M]-	240.07919	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe