CID 6434366

43196-22-1

Structural Information

Molecular Formula

C₁₁H₁₂FNO₂

SMILES

C1=CC(=CC(=C1)F)/C=C/C(=O)NCCO

InChI

InChI=1S/C11H12FNO2/c12-10-3-1-2-9(8-10)4-5-11(15)13-6-7-14/h1-5,8,14H,6-7H2,(H,13,15)/b5-4+

InChIKey

ZICDDQOPRQSIRB-SNAWJCMRSA-N

Compound name

(E)-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 209.0852 Da
Monoisotopic Mass: 1.0
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]+	210.092476	144.6
[M+Na]+	232.074418	151.2
[M-H]-	208.077924	145.4
[M+NH4]+	227.119023	162.5
[M+K]+	248.048358	147.7
[M+H-H2O]+	192.082460	137.6
[M+HCOO]-	254.083401	166.9
[M+CH3COO]-	268.099051	185.3
[M+Na-2H]-	230.059866	149.0
[M]+	209.08465142	142.5
[M]-	209.08574858	142.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.