CID 3033181

60548-38-1

Structural Information

Molecular Formula

C₁₄H₁₄FNO

SMILES

C/C(=C(/C)\C(=O)NCC#C)/C1=CC=C(C=C1)F

InChI

InChI=1S/C14H14FNO/c1-4-9-16-14(17)11(3)10(2)12-5-7-13(15)8-6-12/h1,5-8H,9H2,2-3H3,(H,16,17)/b11-10+

InChIKey

CJRRJXTZRXMUPC-ZHACJKMWSA-N

Compound name

(E)-3-(4-fluorophenyl)-2-methyl-N-prop-2-ynylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 231.10594 Da
Monoisotopic Mass: 2.8
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]+	232.113216	155.9
[M+Na]+	254.095158	163.9
[M-H]-	230.098664	156.3
[M+NH4]+	249.139763	171.3
[M+K]+	270.069098	159.1
[M+H-H2O]+	214.103200	142.7
[M+HCOO]-	276.104141	170.8
[M+CH3COO]-	290.119791	201.6
[M+Na-2H]-	252.080606	155.7
[M]+	231.10539142	148.0
[M]-	231.10648858	148.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.