CID 24724139

2-fluorophenyl cyclobutyl ketone

Structural Information

Molecular Formula

C₁₁H₁₁FO

SMILES

C1CC(C1)C(=O)C2=CC=CC=C2F

InChI

InChI=1S/C11H11FO/c12-10-7-2-1-6-9(10)11(13)8-4-3-5-8/h1-2,6-8H,3-5H2

InChIKey

MSDADPFNGLVOAE-UHFFFAOYSA-N

Compound name

cyclobutyl-(2-fluorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 178.07939 Da
Monoisotopic Mass: 2.7
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]+	179.08667	133.2
[M+Na]+	201.06861	139.3
[M-H]-	177.07211	138.5
[M+NH4]+	196.11321	146.7
[M+K]+	217.04255	140.0
[M+H-H2O]+	161.07665	121.3
[M+HCOO]-	223.07759	153.8
[M+CH3COO]-	237.09324	184.7
[M+Na-2H]-	199.05406	137.7
[M]+	178.07884	139.0
[M]-	178.07994	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe