CID 2724907

208186-78-1

Structural Information

Molecular Formula

C₆H₂Br₂ClF

SMILES

C1=C(C=C(C(=C1F)Br)Br)Cl

InChI

InChI=1S/C6H2Br2ClF/c7-4-1-3(9)2-5(10)6(4)8/h1-2H

InChIKey

XLDRDGJJGGYJCO-UHFFFAOYSA-N

Compound name

1,2-dibromo-5-chloro-3-fluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 285.81958 Da
Monoisotopic Mass: 4.0
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]+	286.82686	133.9
[M+Na]+	308.80880	148.0
[M-H]-	284.81230	140.4
[M+NH4]+	303.85340	154.8
[M+K]+	324.78274	130.9
[M+H-H2O]+	268.81684	142.8
[M+HCOO]-	330.81778	146.8
[M+CH3COO]-	344.83343	200.7
[M+Na-2H]-	306.79425	141.4
[M]+	285.81903	168.2
[M]-	285.82013	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe