CID 137099

1601-98-5

Structural Information

Molecular Formula

C₁₂H₈Br₂N₂

SMILES

C1=CC(=CC=C1N=NC2=CC=C(C=C2)Br)Br

InChI

InChI=1S/C12H8Br2N2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H

InChIKey

LTPLLZWVPBTAMH-UHFFFAOYSA-N

Compound name

bis(4-bromophenyl)diazene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 337.90543 Da
Monoisotopic Mass: 5.5
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]+	338.91271	149.6
[M+Na]+	360.89465	159.7
[M-H]-	336.89815	160.5
[M+NH4]+	355.93925	167.8
[M+K]+	376.86859	144.4
[M+H-H2O]+	320.90269	155.6
[M+HCOO]-	382.90363	170.2
[M+CH3COO]-	396.91928	215.2
[M+Na-2H]-	358.88010	158.5
[M]+	337.90488	183.9
[M]-	337.90598	183.9

Literature stripe

literature stripe

Patent stripe

patents stripe