CID 20065958

Schembl9779271

Structural Information

Molecular Formula

C₁₇H₁₂O

SMILES

CC1=C2C(=CC=C1)OC3=CC4=CC=CC=C4C=C32

InChI

InChI=1S/C17H12O/c1-11-5-4-8-15-17(11)14-9-12-6-2-3-7-13(12)10-16(14)18-15/h2-10H,1H3

InChIKey

DINCMSICGZSQEA-UHFFFAOYSA-N

Compound name

1-methylnaphtho[2,3-b][1]benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 232.08882 Da
Monoisotopic Mass: 5.0
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]+	233.096096	148.1
[M+Na]+	255.078038	161.3
[M-H]-	231.081544	156.8
[M+NH4]+	250.122643	170.4
[M+K]+	271.051978	156.5
[M+H-H2O]+	215.086080	142.0
[M+HCOO]-	277.087021	172.4
[M+CH3COO]-	291.102671	163.4
[M+Na-2H]-	253.063486	158.6
[M]+	232.08827142	153.8
[M]-	232.08936858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe