CID 22929634

93427-14-6

Structural Information

Molecular Formula

C₈H₇BrCl₂

SMILES

C1=C(C=C(C=C1Cl)Cl)CCBr

InChI

InChI=1S/C8H7BrCl2/c9-2-1-6-3-7(10)5-8(11)4-6/h3-5H,1-2H2

InChIKey

LJLBCAVZAJPFMH-UHFFFAOYSA-N

Compound name

1-(2-bromoethyl)-3,5-dichlorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 251.91081 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]+	252.91809	142.1
[M+Na]+	274.90003	148.6
[M+NH4]+	269.94463	148.7
[M+K]+	290.87397	145.8
[M-H]-	250.90353	143.8
[M+Na-2H]-	272.88548	147.2
[M]+	251.91026	143.1
[M]-	251.91136	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe