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: 36
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]+	199.076506	137.2
[M+Na]+	221.058448	147.0
[M-H]-	197.061954	140.5
[M+NH4]+	216.103053	157.2
[M+K]+	237.032388	146.0
[M+H-H2O]+	181.066490	130.9
[M+HCOO]-	243.067431	160.3
[M+CH3COO]-	257.083081	186.6
[M+Na-2H]-	219.043896	141.2
[M]+	198.06868142	140.6
[M]-	198.06977858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe