CID 18986063

1-bromo-5-(bromomethyl)naphthalene

Structural Information

Molecular Formula

C₁₁H₈Br₂

SMILES

C1=CC(=C2C=CC=C(C2=C1)Br)CBr

InChI

InChI=1S/C11H8Br2/c12-7-8-3-1-5-10-9(8)4-2-6-11(10)13/h1-6H,7H2

InChIKey

UYYBCDKQJMABTJ-UHFFFAOYSA-N

Compound name

1-bromo-5-(bromomethyl)naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 297.8993 Da
Monoisotopic Mass: 4.4
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]+	298.90658	145.9
[M+Na]+	320.88852	142.7
[M+NH4]+	315.93312	149.2
[M+K]+	336.86246	147.7
[M-H]-	296.89202	147.9
[M+Na-2H]-	318.87397	148.9
[M]+	297.89875	145.1
[M]-	297.89985	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe