CID 639726

3,4-dichlorobenzyl bromide

Structural Information

Molecular Formula

C₇H₅BrCl₂

SMILES

C1=CC(=C(C=C1CBr)Cl)Cl

InChI

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

InChIKey

XLWSBDFQAJXCQX-UHFFFAOYSA-N

Compound name

4-(bromomethyl)-1,2-dichlorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2024
Patents: 237.89517 Da
Monoisotopic Mass: 4.2
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]+	238.90245	134.5
[M+Na]+	260.88439	149.3
[M-H]-	236.88789	140.7
[M+NH4]+	255.92899	157.6
[M+K]+	276.85833	135.4
[M+H-H2O]+	220.89243	137.0
[M+HCOO]-	282.89337	147.9
[M+CH3COO]-	296.90902	186.6
[M+Na-2H]-	258.86984	142.5
[M]+	237.89462	155.4
[M]-	237.89572	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe