CID 454756

2-(2-naphthyl)thiophene

Structural Information

Molecular Formula

C₁₄H₁₀S

SMILES

C1=CC=C2C=C(C=CC2=C1)C3=CC=CS3

InChI

InChI=1S/C14H10S/c1-2-5-12-10-13(8-7-11(12)4-1)14-6-3-9-15-14/h1-10H

InChIKey

LJLVEEXIZQMBSB-UHFFFAOYSA-N

Compound name

2-naphthalen-2-ylthiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 145
Patents: 210.05032 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]+	211.05760	142.6
[M+Na]+	233.03954	153.8
[M-H]-	209.04304	151.5
[M+NH4]+	228.08414	165.3
[M+K]+	249.01348	148.5
[M+H-H2O]+	193.04758	136.9
[M+HCOO]-	255.04852	164.4
[M+CH3COO]-	269.06417	157.5
[M+Na-2H]-	231.02499	148.4
[M]+	210.04977	145.8
[M]-	210.05087	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe