CID 30159

2,6-dichlorobenzyl bromide

Structural Information

Molecular Formula

C₇H₅BrCl₂

SMILES

C1=CC(=C(C(=C1)Cl)CBr)Cl

InChI

InChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

InChIKey

PDFGFQUSSYSWNI-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-1,3-dichlorobenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2109
Patents: 237.89517 Da
Monoisotopic Mass: 3.7
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]+	238.902446	134.5
[M+Na]+	260.884388	149.3
[M-H]-	236.887894	140.7
[M+NH4]+	255.928993	157.6
[M+K]+	276.858328	135.4
[M+H-H2O]+	220.892430	137.0
[M+HCOO]-	282.893371	147.9
[M+CH3COO]-	296.909021	186.6
[M+Na-2H]-	258.869836	142.5
[M]+	237.89462142	155.4
[M]-	237.89571858	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe