CID 68498

4'-fluorobutyrophenone

Structural Information

Molecular Formula

C₁₀H₁₁FO

SMILES

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

InChI

InChI=1S/C10H11FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3

InChIKey

QHDXPJMOWRLLRV-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 440
Patents: 166.07939 Da
Monoisotopic Mass: 2.5
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	140.6
[M-H]-	165.07211	135.0
[M+NH4]+	184.11321	153.3
[M+K]+	205.04255	138.5
[M+H-H2O]+	149.07665	126.2
[M+HCOO]-	211.07759	155.2
[M+CH3COO]-	225.09324	180.2
[M+Na-2H]-	187.05406	137.8
[M]+	166.07884	132.2
[M]-	166.07994	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe