CID 253238

2-(2-naphthyl)-1-thiaindene

Structural Information

Molecular Formula

C₁₈H₁₂S

SMILES

C1=CC=C2C=C(C=CC2=C1)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C18H12S/c1-2-6-14-11-16(10-9-13(14)5-1)18-12-15-7-3-4-8-17(15)19-18/h1-12H

InChIKey

VXNMJAGOXHIGRF-UHFFFAOYSA-N

Compound name

2-naphthalen-2-yl-1-benzothiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 260.06598 Da
Monoisotopic Mass: 5.9
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]+	261.07326	154.7
[M+Na]+	283.05520	173.1
[M+NH4]+	278.09980	167.4
[M+K]+	299.02914	161.7
[M-H]-	259.05870	162.7
[M+Na-2H]-	281.04065	166.2
[M]+	260.06543	160.6
[M]-	260.06653	160.6

Literature stripe

literature stripe

Patent stripe

patents stripe