CID 10330356

142265-69-8

Structural Information

Molecular Formula

C₁₀H₁₁FO₃

SMILES

CC(=O)C1=CC(=C(C=C1F)OC)OC

InChI

InChI=1S/C10H11FO3/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11/h4-5H,1-3H3

InChIKey

JRWQSKXAEUPVNJ-UHFFFAOYSA-N

Compound name

1-(2-fluoro-4,5-dimethoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 198.06923 Da
Monoisotopic Mass: 1.6
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]+	199.07651	141.3
[M+Na]+	221.05845	153.4
[M+NH4]+	216.10305	148.4
[M+K]+	237.03239	148.0
[M-H]-	197.06195	141.3
[M+Na-2H]-	219.04390	146.4
[M]+	198.06868	142.8
[M]-	198.06978	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe