CID 13691211

3-(4-fluorophenoxy)propan-1-ol

Structural Information

Molecular Formula

C₉H₁₁FO₂

SMILES

C1=CC(=CC=C1OCCCO)F

InChI

InChI=1S/C9H11FO2/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,11H,1,6-7H2

InChIKey

WRQULXUPZRAOHW-UHFFFAOYSA-N

Compound name

3-(4-fluorophenoxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
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	134.8
[M+Na]+	193.06353	146.7
[M+NH4]+	188.10813	142.7
[M+K]+	209.03747	140.1
[M-H]-	169.06703	135.2
[M+Na-2H]-	191.04898	141.0
[M]+	170.07376	136.5
[M]-	170.07486	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe