CID 21914471

2-(4-bromophenoxymethyl)oxolane

Structural Information

Molecular Formula

C₁₁H₁₃BrO₂

SMILES

C1CC(OC1)COC2=CC=C(C=C2)Br

InChI

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

InChIKey

PEFDJYPDPZQVGC-UHFFFAOYSA-N

Compound name

2-[(4-bromophenoxy)methyl]oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 256.0099 Da
Monoisotopic Mass: 3.0
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	152.3
[M+Na]+	278.99912	155.2
[M+NH4]+	274.04372	157.8
[M+K]+	294.97306	156.0
[M-H]-	255.00262	155.4
[M+Na-2H]-	276.98457	155.6
[M]+	256.00935	152.4
[M]-	256.01045	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe