CID 45933640

4-ethyl-5-fluoro-2-methoxyphenol

Structural Information

Molecular Formula

C₉H₁₁FO₂

SMILES

CCC1=CC(=C(C=C1F)O)OC

InChI

InChI=1S/C9H11FO2/c1-3-6-4-9(12-2)8(11)5-7(6)10/h4-5,11H,3H2,1-2H3

InChIKey

KJKDEXSEEDJRNQ-UHFFFAOYSA-N

Compound name

4-ethyl-5-fluoro-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 170.07431 Da
Monoisotopic Mass: 2.4
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	134.5
[M+Na]+	193.06353	147.1
[M+NH4]+	188.10813	142.4
[M+K]+	209.03747	141.0
[M-H]-	169.06703	135.0
[M+Na-2H]-	191.04898	140.3
[M]+	170.07376	136.3
[M]-	170.07486	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe