CID 6434365

43196-21-0

Structural Information

Molecular Formula

C₁₁H₁₂FNO₂

SMILES

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

InChI

InChI=1S/C11H12FNO2/c12-10-4-1-9(2-5-10)3-6-11(15)13-7-8-14/h1-6,14H,7-8H2,(H,13,15)/b6-3+

InChIKey

HTMGPXQJCMZUHF-ZZXKWVIFSA-N

Compound name

(E)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
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]+	210.09248	144.6
[M+Na]+	232.07442	151.2
[M-H]-	208.07792	145.4
[M+NH4]+	227.11902	162.5
[M+K]+	248.04836	147.7
[M+H-H2O]+	192.08246	137.6
[M+HCOO]-	254.08340	166.9
[M+CH3COO]-	268.09905	185.3
[M+Na-2H]-	230.05987	149.0
[M]+	209.08465	142.5
[M]-	209.08575	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe