CID 67859

Nsc 72338

Structural Information

Molecular Formula

C₉H₁₁FO₃

SMILES

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

InChI

InChI=1S/C9H11FO3/c10-8-3-1-2-4-9(8)13-7(5-11)6-12/h1-4,7,11-12H,5-6H2

InChIKey

LZJGDUHUWGECJU-UHFFFAOYSA-N

Compound name

2-(2-fluorophenoxy)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.06923 Da
Monoisotopic Mass: 0.8
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]+	187.07651	138.5
[M+Na]+	209.05845	148.9
[M+NH4]+	204.10305	145.3
[M+K]+	225.03239	144.0
[M-H]-	185.06195	137.5
[M+Na-2H]-	207.04390	143.2
[M]+	186.06868	139.4
[M]-	186.06978	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.