CID 24724126

4-bromophenyl cyclobutyl ketone

Structural Information

Molecular Formula

C₁₁H₁₁BrO

SMILES

C1CC(C1)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H11BrO/c12-10-6-4-9(5-7-10)11(13)8-2-1-3-8/h4-8H,1-3H2

InChIKey

AZSFMTLMLOZVLG-UHFFFAOYSA-N

Compound name

(4-bromophenyl)-cyclobutylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 237.99933 Da
Monoisotopic Mass: 3.3
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]+	239.00661	135.9
[M+Na]+	260.98855	145.0
[M-H]-	236.99205	144.7
[M+NH4]+	256.03315	151.0
[M+K]+	276.96249	137.6
[M+H-H2O]+	220.99659	131.3
[M+HCOO]-	282.99753	155.4
[M+CH3COO]-	297.01318	191.8
[M+Na-2H]-	258.97400	142.5
[M]+	237.99878	160.5
[M]-	237.99988	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe