CID 101962526

1340481-61-9

Structural Information

Molecular Formula

C₁₀H₁₁FO

SMILES

CC1=CC=C(C=C1)C(=O)C(C)F

InChI

InChI=1S/C10H11FO/c1-7-3-5-9(6-4-7)10(12)8(2)11/h3-6,8H,1-2H3

InChIKey

KSYCKOAKHHRLMT-UHFFFAOYSA-N

Compound name

2-fluoro-1-(4-methylphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.07939 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]+	167.08667	132.5
[M+Na]+	189.06861	140.3
[M-H]-	165.07211	135.1
[M+NH4]+	184.11321	153.2
[M+K]+	205.04255	138.6
[M+H-H2O]+	149.07665	126.3
[M+HCOO]-	211.07759	154.2
[M+CH3COO]-	225.09324	181.1
[M+Na-2H]-	187.05406	136.6
[M]+	166.07884	131.5
[M]-	166.07994	131.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.