CID 41893

Naphthalene, hexabromo-

Structural Information

Molecular Formula

C₁₀H₂Br₆

SMILES

C1=C2C(=CC(=C(C2=C(C(=C1Br)Br)Br)Br)Br)Br

InChI

InChI=1S/C10H2Br6/c11-4-2-6(13)8(14)7-3(4)1-5(12)9(15)10(7)16/h1-2H

InChIKey

NOXBHKAVWHWFDR-UHFFFAOYSA-N

Compound name

1,2,3,5,7,8-hexabromonaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 595.5257 Da
Monoisotopic Mass: 7.3
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]+	596.53298	176.0
[M+Na]+	618.51492	185.6
[M-H]-	594.51842	179.9
[M+NH4]+	613.55952	182.0
[M+K]+	634.48886	175.3
[M+H-H2O]+	578.52296	190.2
[M+HCOO]-	640.52390	178.8
[M+CH3COO]-	654.53955	179.1
[M+Na-2H]-	616.50037	174.8
[M]+	595.52515	197.1
[M]-	595.52625	197.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe