CID 14003285

112482-37-8

Structural Information

Molecular Formula

C₁₀H₁₃FO₂

SMILES

C1=CC=C(C=C1)COCC(CO)F

InChI

InChI=1S/C10H13FO2/c11-10(6-12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2

InChIKey

ZBYWMMUOFGLUIO-UHFFFAOYSA-N

Compound name

2-fluoro-3-phenylmethoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 184.08995 Da
Monoisotopic Mass: 1.3
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]+	185.09723	139.9
[M+Na]+	207.07917	150.8
[M+NH4]+	202.12377	147.5
[M+K]+	223.05311	144.6
[M-H]-	183.08267	139.9
[M+Na-2H]-	205.06462	145.6
[M]+	184.08940	141.2
[M]-	184.09050	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe