CID 17749895

850348-58-2

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

CC1(CCO1)C2=CC(=CC=C2)Br

InChI

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

InChIKey

GWKYRHWYLAAEFD-UHFFFAOYSA-N

Compound name

2-(3-bromophenyl)-2-methyloxetane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 225.99933 Da
Monoisotopic Mass: 2.6
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	129.8
[M+Na]+	248.98855	140.4
[M-H]-	224.99205	139.9
[M+NH4]+	244.03315	146.5
[M+K]+	264.96249	134.5
[M+H-H2O]+	208.99659	126.8
[M+HCOO]-	270.99753	149.8
[M+CH3COO]-	285.01318	188.7
[M+Na-2H]-	246.97400	140.2
[M]+	225.99878	156.5
[M]-	225.99988	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe