CID 11970646

77771-05-2

Structural Information

Molecular Formula

C₁₅H₁₃FO₃

SMILES

C1COC(O1)C2=CC(=C(C=C2)F)OC3=CC=CC=C3

InChI

InChI=1S/C15H13FO3/c16-13-7-6-11(15-17-8-9-18-15)10-14(13)19-12-4-2-1-3-5-12/h1-7,10,15H,8-9H2

InChIKey

BOIKPJKVWFRGMY-UHFFFAOYSA-N

Compound name

2-(4-fluoro-3-phenoxyphenyl)-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 17
Patents: 260.08487 Da
Monoisotopic Mass: 3.0
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]+	261.092146	155.1
[M+Na]+	283.074088	162.6
[M-H]-	259.077594	164.9
[M+NH4]+	278.118693	170.6
[M+K]+	299.048028	161.6
[M+H-H2O]+	243.082130	147.1
[M+HCOO]-	305.083071	176.2
[M+CH3COO]-	319.098721	168.1
[M+Na-2H]-	281.059536	159.9
[M]+	260.08432142	155.2
[M]-	260.08541858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe