CID 97652

59485-34-6

Structural Information

Molecular Formula

C₁₄H₁₂Br₂

SMILES

C1=CC=C(C(=C1)CCC2=CC=CC=C2Br)Br

InChI

InChI=1S/C14H12Br2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2

InChIKey

CVGGCYQDKJYOCA-UHFFFAOYSA-N

Compound name

1-bromo-2-[2-(2-bromophenyl)ethyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 151
Patents: 337.93057 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]+	338.937846	153.6
[M+Na]+	360.919788	163.8
[M-H]-	336.923294	162.6
[M+NH4]+	355.964393	171.6
[M+K]+	376.893728	148.2
[M+H-H2O]+	320.927830	161.7
[M+HCOO]-	382.928771	170.1
[M+CH3COO]-	396.944421	209.7
[M+Na-2H]-	358.905236	160.5
[M]+	337.93002142	187.6
[M]-	337.93111858	187.6

Literature stripe

literature stripe

Patent stripe

patents stripe