CID 7020566

18869-30-2

Structural Information

Molecular Formula

C₁₄H₁₀Br₂

SMILES

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

InChI

InChI=1S/C14H10Br2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10H/b2-1+

InChIKey

JEHMPNUQSJNJDL-OWOJBTEDSA-N

Compound name

1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 334
Patents: 335.91492 Da
Monoisotopic Mass: 5.6
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	152.2
[M+Na]+	358.90414	162.7
[M-H]-	334.90764	161.3
[M+NH4]+	353.94874	170.2
[M+K]+	374.87808	146.6
[M+H-H2O]+	318.91218	160.4
[M+HCOO]-	380.91312	168.8
[M+CH3COO]-	394.92877	208.6
[M+Na-2H]-	356.88959	159.2
[M]+	335.91437	185.6
[M]-	335.91547	185.6

Literature stripe

literature stripe

Patent stripe

patents stripe