CID 44891199

1000572-93-9

Structural Information

Molecular Formula

C₆H₂BrCl₂F

SMILES

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

InChI

InChI=1S/C6H2BrCl2F/c7-3-1-4(8)6(9)5(10)2-3/h1-2H

InChIKey

NWRZTOGDTNCJHP-UHFFFAOYSA-N

Compound name

5-bromo-1,2-dichloro-3-fluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 241.8701 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]+	242.877376	132.1
[M+Na]+	264.859318	148.2
[M-H]-	240.862824	137.5
[M+NH4]+	259.903923	155.3
[M+K]+	280.833258	134.1
[M+H-H2O]+	224.867360	134.1
[M+HCOO]-	286.868301	144.9
[M+CH3COO]-	300.883951	187.4
[M+Na-2H]-	262.844766	139.4
[M]+	241.86955142	152.0
[M]-	241.87064858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe