CID 108975

Hydroxyethyl pentabromophenyl ether

Structural Information

Molecular Formula

C₈H₅Br₅O₂

SMILES

C(COC1=C(C(=C(C(=C1Br)Br)Br)Br)Br)O

InChI

InChI=1S/C8H5Br5O2/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11/h14H,1-2H2

InChIKey

ZANXWPPILUXIGV-UHFFFAOYSA-N

Compound name

2-(2,3,4,5,6-pentabromophenoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 527.62067 Da
Monoisotopic Mass: 4.7
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]+	528.62795	164.5
[M+Na]+	550.60989	171.8
[M-H]-	526.61339	167.9
[M+NH4]+	545.65449	171.7
[M+K]+	566.58383	160.2
[M+H-H2O]+	510.61793	181.6
[M+HCOO]-	572.61887	167.8
[M+CH3COO]-	586.63452	245.6
[M+Na-2H]-	548.59534	164.6
[M]+	527.62012	195.1
[M]-	527.62122	195.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe