CID 5067264

2-(3-bromophenoxy)tetrahydro-2h-pyran

Structural Information

Molecular Formula

C₁₁H₁₃BrO₂

SMILES

C1CCOC(C1)OC2=CC(=CC=C2)Br

InChI

InChI=1S/C11H13BrO2/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h3-5,8,11H,1-2,6-7H2

InChIKey

YDIPSMGGPVMCHP-UHFFFAOYSA-N

Compound name

2-(3-bromophenoxy)oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
Patents: 256.0099 Da
Monoisotopic Mass: 3.4
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]+	257.01718	147.1
[M+Na]+	278.99912	151.1
[M+NH4]+	274.04372	152.9
[M+K]+	294.97306	150.4
[M-H]-	255.00262	151.0
[M+Na-2H]-	276.98457	151.8
[M]+	256.00935	147.7
[M]-	256.01045	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe