CID 84135913

3-(4-bromophenyl)azetidin-3-ol hydrochloride

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

C1C(CN1)(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C9H10BrNO/c10-8-3-1-7(2-4-8)9(12)5-11-6-9/h1-4,11-12H,5-6H2

InChIKey

RAXRSTOKCITCSP-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)azetidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 226.99458 Da
Monoisotopic Mass: 0.9
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]+	228.00186	140.8
[M+Na]+	249.98380	140.3
[M+NH4]+	245.02840	143.5
[M+K]+	265.95774	140.5
[M-H]-	225.98730	139.4
[M+Na-2H]-	247.96925	144.0
[M]+	226.99403	138.3
[M]-	226.99513	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe