CID 67460

Benzo[b]naphtho[2,1-d]furan

Structural Information

Molecular Formula

C₁₆H₁₀O

SMILES

C1=CC=C2C(=C1)C=CC3=C2OC4=CC=CC=C34

InChI

InChI=1S/C16H10O/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10H

InChIKey

BCBSVZISIWCHFM-UHFFFAOYSA-N

Compound name

naphtho[1,2-b][1]benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 472
Patents: 218.07317 Da
Monoisotopic Mass: 5.4
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]+	219.080446	142.8
[M+Na]+	241.062388	155.5
[M-H]-	217.065894	151.3
[M+NH4]+	236.106993	165.3
[M+K]+	257.036328	150.9
[M+H-H2O]+	201.070430	136.8
[M+HCOO]-	263.071371	167.4
[M+CH3COO]-	277.087021	158.2
[M+Na-2H]-	239.047836	154.6
[M]+	218.07262142	147.8
[M]-	218.07371858	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe