CID 521939

607-50-1

Structural Information

Molecular Formula

C₂₁H₁₆

SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H16/c1-3-13-20-16(7-1)9-5-11-18(20)15-19-12-6-10-17-8-2-4-14-21(17)19/h1-14H,15H2

InChIKey

ZMESHQOXZMOOQQ-UHFFFAOYSA-N

Compound name

1-(naphthalen-1-ylmethyl)naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3261
Patents: 268.1252 Da
Monoisotopic Mass: 6.3
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]+	269.132476	161.6
[M+Na]+	291.114418	170.8
[M-H]-	267.117924	170.1
[M+NH4]+	286.159023	179.7
[M+K]+	307.088358	163.5
[M+H-H2O]+	251.122460	152.8
[M+HCOO]-	313.123401	184.3
[M+CH3COO]-	327.139051	174.1
[M+Na-2H]-	289.099866	171.3
[M]+	268.12465142	162.2
[M]-	268.12574858	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe