CID 117550942

3-(4-bromophenyl)-3-methoxyoxetane

Structural Information

Molecular Formula

C₁₀H₁₁BrO₂

SMILES

COC1(COC1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C10H11BrO2/c1-12-10(6-13-7-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3

InChIKey

WYSLNMIJAZJSNT-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)-3-methoxyoxetane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 241.99425 Da
Monoisotopic Mass: 1.7
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]+	243.00153	140.3
[M+Na]+	264.98347	140.8
[M+NH4]+	260.02807	143.7
[M+K]+	280.95741	140.9
[M-H]-	240.98697	141.2
[M+Na-2H]-	262.96892	144.2
[M]+	241.99370	138.8
[M]-	241.99480	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe