CID 11041134

705-97-5

Structural Information

Molecular Formula

C₉H₁₁FO₂

SMILES

C1=CC=C(C=C1)OCC(CF)O

InChI

InChI=1S/C9H11FO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7H2

InChIKey

SXNKJLLKDWVVLG-UHFFFAOYSA-N

Compound name

1-fluoro-3-phenoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.07431 Da
Monoisotopic Mass: 1.7
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]+	171.08159	134.0
[M+Na]+	193.06353	140.7
[M-H]-	169.06703	134.7
[M+NH4]+	188.10813	153.5
[M+K]+	209.03747	138.9
[M+H-H2O]+	153.07157	127.4
[M+HCOO]-	215.07251	155.5
[M+CH3COO]-	229.08816	176.2
[M+Na-2H]-	191.04898	139.9
[M]+	170.07376	133.1
[M]-	170.07486	133.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.