CID 21730434

Fpmeopa

Structural Information

Molecular Formula

C₁₅H₁₁FO

SMILES

COC1=CC=C(C=C1)C#CC2=CC=C(C=C2)F

InChI

InChI=1S/C15H11FO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h4-11H,1H3

InChIKey

XHOPKPJBVHZHRC-UHFFFAOYSA-N

Compound name

1-fluoro-4-[2-(4-methoxyphenyl)ethynyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 226.07939 Da
Monoisotopic Mass: 4.0
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]+	227.08667	150.6
[M+Na]+	249.06861	161.9
[M-H]-	225.07211	153.9
[M+NH4]+	244.11321	166.8
[M+K]+	265.04255	155.0
[M+H-H2O]+	209.07665	136.9
[M+HCOO]-	271.07759	168.1
[M+CH3COO]-	285.09324	196.4
[M+Na-2H]-	247.05406	154.8
[M]+	226.07884	144.7
[M]-	226.07994	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe