CID 44891214

4-bromo-3,5-dichloroiodobenzene

Structural Information

Molecular Formula

C₆H₂BrCl₂I

SMILES

C1=C(C=C(C(=C1Cl)Br)Cl)I

InChI

InChI=1S/C6H2BrCl2I/c7-6-4(8)1-3(10)2-5(6)9/h1-2H

InChIKey

QPPMUOTUUHLYCY-UHFFFAOYSA-N

Compound name

2-bromo-1,3-dichloro-5-iodobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 349.77618 Da
Monoisotopic Mass: 4.5
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]+	350.783456	137.4
[M+Na]+	372.765398	146.3
[M-H]-	348.768904	137.3
[M+NH4]+	367.810003	155.8
[M+K]+	388.739338	138.4
[M+H-H2O]+	332.773440	136.5
[M+HCOO]-	394.774381	146.8
[M+CH3COO]-	408.790031	195.3
[M+Na-2H]-	370.750846	134.2
[M]+	349.77563142	155.0
[M]-	349.77672858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe