CID 3864781

3-chloro-2,4-difluorobenzyl bromide

Structural Information

Molecular Formula

C₇H₄BrClF₂

SMILES

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

InChI

InChI=1S/C7H4BrClF2/c8-3-4-1-2-5(10)6(9)7(4)11/h1-2H,3H2

InChIKey

FCYPGMBZSOLBNP-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-3-chloro-2,4-difluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 239.9153 Da
Monoisotopic Mass: 3.3
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]+	240.92258	142.3
[M+Na]+	262.90452	146.8
[M+NH4]+	257.94912	147.3
[M+K]+	278.87846	145.0
[M-H]-	238.90802	141.3
[M+Na-2H]-	260.88997	145.6
[M]+	239.91475	141.8
[M]-	239.91585	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe