CID 3824079

2,3-dichloro-6-fluorobenzyl bromide

Structural Information

Molecular Formula

C₇H₄BrCl₂F

SMILES

C1=CC(=C(C(=C1F)CBr)Cl)Cl

InChI

InChI=1S/C7H4BrCl2F/c8-3-4-6(11)2-1-5(9)7(4)10/h1-2H,3H2

InChIKey

RXHTVFRUZNHYSD-UHFFFAOYSA-N

Compound name

3-(bromomethyl)-1,2-dichloro-4-fluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 255.88576 Da
Monoisotopic Mass: 3.8
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]+	256.89304	136.8
[M+Na]+	278.87498	152.5
[M-H]-	254.87848	142.0
[M+NH4]+	273.91958	159.5
[M+K]+	294.84892	138.2
[M+H-H2O]+	238.88302	138.6
[M+HCOO]-	300.88396	149.3
[M+CH3COO]-	314.89961	190.1
[M+Na-2H]-	276.86043	143.6
[M]+	255.88521	157.1
[M]-	255.88631	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe