CID 5358304

Alpha,beta-dibromostilbene

Structural Information

Molecular Formula

C₁₄H₁₀Br₂

SMILES

C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\Br)/Br

InChI

InChI=1S/C14H10Br2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H/b14-13+

InChIKey

XNJYRGMCZCPTJE-BUHFOSPRSA-N

Compound name

[(E)-1,2-dibromo-2-phenylethenyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 335.91492 Da
Monoisotopic Mass: 5.2
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]+	336.92220	152.3
[M+Na]+	358.90414	148.6
[M+NH4]+	353.94874	155.0
[M+K]+	374.87808	153.9
[M-H]-	334.90764	154.7
[M+Na-2H]-	356.88959	156.1
[M]+	335.91437	151.5
[M]-	335.91547	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe