CID 2804880

Ns00015917

Structural Information

Molecular Formula

C₁₁H₁₁F₂NO₂

SMILES

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

InChI

InChI=1S/C11H11F2NO2/c1-14(2)4-3-10(15)8-5-7(12)6-9(13)11(8)16/h3-6,16H,1-2H3

InChIKey

QFRUJIKZHSPJTR-UHFFFAOYSA-N

Compound name

1-(3,5-difluoro-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 227.07579 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]+	228.083066	145.7
[M+Na]+	250.065008	154.3
[M-H]-	226.068514	147.3
[M+NH4]+	245.109613	163.9
[M+K]+	266.038948	151.9
[M+H-H2O]+	210.073050	138.0
[M+HCOO]-	272.073991	167.3
[M+CH3COO]-	286.089641	194.6
[M+Na-2H]-	248.050456	147.3
[M]+	227.07524142	144.5
[M]-	227.07633858	144.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.