CID 3745562

1-bromo-4-chloronaphthalene

Structural Information

Molecular Formula

C₁₀H₆BrCl

SMILES

C1=CC=C2C(=C1)C(=CC=C2Br)Cl

InChI

InChI=1S/C10H6BrCl/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H

InChIKey

WUGJECZACFHDFE-UHFFFAOYSA-N

Compound name

1-bromo-4-chloronaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 118
Patents: 239.93414 Da
Monoisotopic Mass: 4.7
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]+	240.94142	137.8
[M+Na]+	262.92336	145.2
[M+NH4]+	257.96796	145.4
[M+K]+	278.89730	142.3
[M-H]-	238.92686	140.7
[M+Na-2H]-	260.90881	144.0
[M]+	239.93359	139.1
[M]-	239.93469	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe