CID 29013

18282-59-2

Structural Information

Molecular Formula

C₆H₃BrCl₂

SMILES

C1=CC(=C(C=C1Br)Cl)Cl

InChI

InChI=1S/C6H3BrCl2/c7-4-1-2-5(8)6(9)3-4/h1-3H

InChIKey

CFPZDVAZISWERM-UHFFFAOYSA-N

Compound name

4-bromo-1,2-dichlorobenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1482
Patents: 223.87952 Da
Monoisotopic Mass: 4.1
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]+	224.88680	129.7
[M+Na]+	246.86874	145.0
[M-H]-	222.87224	136.1
[M+NH4]+	241.91334	153.4
[M+K]+	262.84268	131.3
[M+H-H2O]+	206.87678	132.5
[M+HCOO]-	268.87772	143.5
[M+CH3COO]-	282.89337	183.9
[M+Na-2H]-	244.85419	138.4
[M]+	223.87897	150.4
[M]-	223.88007	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe