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: 155
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]+	257.017176	149.9
[M+Na]+	278.999118	158.6
[M-H]-	255.002624	158.9
[M+NH4]+	274.043723	168.9
[M+K]+	294.973058	149.8
[M+H-H2O]+	239.007160	149.5
[M+HCOO]-	301.008101	168.2
[M+CH3COO]-	315.023751	189.2
[M+Na-2H]-	276.984566	157.4
[M]+	256.00935142	166.3
[M]-	256.01044858	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe