CID 59206220

3-(4-bromophenyl)-3-methyloxetane

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

CC1(COC1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C10H11BrO/c1-10(6-12-7-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3

InChIKey

PJUDQBGOXZAYIJ-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)-3-methyloxetane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 225.99933 Da
Monoisotopic Mass: 2.8
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]+	227.00661	136.6
[M+Na]+	248.98855	137.5
[M+NH4]+	244.03315	140.5
[M+K]+	264.96249	137.2
[M-H]-	224.99205	137.9
[M+Na-2H]-	246.97400	141.0
[M]+	225.99878	135.3
[M]-	225.99988	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe