CID 177689293

4-bromo-3,6-difluoro-2-iodophenol

Structural Information

Molecular Formula

C₆H₂BrF₂IO

SMILES

C1=C(C(=C(C(=C1Br)F)I)O)F

InChI

InChI=1S/C6H2BrF2IO/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H

InChIKey

JEOPUFGYDUXTKG-UHFFFAOYSA-N

Compound name

4-bromo-3,6-difluoro-2-iodophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 333.83017 Da
Monoisotopic Mass: 3.1
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]+	334.83745	142.4
[M+Na]+	356.81939	149.8
[M-H]-	332.82289	139.5
[M+NH4]+	351.86399	159.4
[M+K]+	372.79333	144.1
[M+H-H2O]+	316.82743	138.2
[M+HCOO]-	378.82837	157.1
[M+CH3COO]-	392.84402	193.0
[M+Na-2H]-	354.80484	136.8
[M]+	333.82962	155.2
[M]-	333.83072	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.