CID 2758999

3-fluoro-4-methoxyphenethyl alcohol

Structural Information

Molecular Formula

C₉H₁₁FO₂

SMILES

COC1=C(C=C(C=C1)CCO)F

InChI

InChI=1S/C9H11FO2/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6,11H,4-5H2,1H3

InChIKey

CTZFMMKZSPJHOS-UHFFFAOYSA-N

Compound name

2-(3-fluoro-4-methoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 170.07431 Da
Monoisotopic Mass: 0.9
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	132.4
[M+Na]+	193.06353	141.3
[M-H]-	169.06703	133.9
[M+NH4]+	188.10813	152.7
[M+K]+	209.03747	139.1
[M+H-H2O]+	153.07157	126.3
[M+HCOO]-	215.07251	154.9
[M+CH3COO]-	229.08816	177.7
[M+Na-2H]-	191.04898	138.2
[M]+	170.07376	133.0
[M]-	170.07486	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe