CID 97018

1,4-bis(1,2-dibromoethyl)benzene

Structural Information

Molecular Formula

C₁₀H₁₀Br₄

SMILES

C1=CC(=CC=C1C(CBr)Br)C(CBr)Br

InChI

InChI=1S/C10H10Br4/c11-5-9(13)7-1-2-8(4-3-7)10(14)6-12/h1-4,9-10H,5-6H2

InChIKey

KDBQQANTDCVPDZ-UHFFFAOYSA-N

Compound name

1,4-bis(1,2-dibromoethyl)benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 18
Patents: 445.7516 Da
Monoisotopic Mass: 4.6
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]+	446.75888	160.1
[M+Na]+	468.74082	155.1
[M+NH4]+	463.78542	161.1
[M+K]+	484.71476	161.3
[M-H]-	444.74432	162.0
[M+Na-2H]-	466.72627	161.4
[M]+	445.75105	160.3
[M]-	445.75215	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe