CID 167040279

Schembl24377797

Structural Information

Molecular Formula

C₁₁H₁₃BrO₂

SMILES

COC1(CCOC1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C11H13BrO2/c1-13-11(5-6-14-8-11)9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3

InChIKey

DMVIMUOSXWCVPM-UHFFFAOYSA-N

Compound name

3-(3-bromophenyl)-3-methoxyoxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 256.0099 Da
Monoisotopic Mass: 2.1
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	152.5
[M+Na]+	278.99912	155.4
[M+NH4]+	274.04372	159.2
[M+K]+	294.97306	154.8
[M-H]-	255.00262	155.6
[M+Na-2H]-	276.98457	157.1
[M]+	256.00935	152.8
[M]-	256.01045	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe