CID 162345092

Ns00133711

Structural Information

Molecular Formula

C₈H₈Br₂O₂

SMILES

CC(OC1=CC=CC=C1O)(Br)Br

InChI

InChI=1S/C8H8Br2O2/c1-8(9,10)12-7-5-3-2-4-6(7)11/h2-5,11H,1H3

InChIKey

DEYQGAQOLJZIEB-UHFFFAOYSA-N

Compound name

2-(1,1-dibromoethoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.8891 Da
Monoisotopic Mass: 3.3
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]+	294.896376	143.1
[M+Na]+	316.878318	153.7
[M-H]-	292.881824	149.0
[M+NH4]+	311.922923	161.9
[M+K]+	332.852258	138.6
[M+H-H2O]+	276.886360	151.5
[M+HCOO]-	338.887301	157.7
[M+CH3COO]-	352.902951	199.8
[M+Na-2H]-	314.863766	151.2
[M]+	293.88855142	177.2
[M]-	293.88964858	177.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.