CID 44891074

878572-08-8

Structural Information

Molecular Formula

C₉H₁₁FO₂

SMILES

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

InChI

InChI=1S/C9H11FO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-6,11H,1-2H3

InChIKey

VLBOHPCLXJIASU-UHFFFAOYSA-N

Compound name

1-(5-fluoro-2-methoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 170.07431 Da
Monoisotopic Mass: 1.5
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	132.6
[M+Na]+	193.06353	141.2
[M-H]-	169.06703	134.2
[M+NH4]+	188.10813	152.8
[M+K]+	209.03747	139.6
[M+H-H2O]+	153.07157	126.6
[M+HCOO]-	215.07251	154.1
[M+CH3COO]-	229.08816	178.5
[M+Na-2H]-	191.04898	137.1
[M]+	170.07376	132.5
[M]-	170.07486	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe