CID 44426103

Chembl229067

Structural Information

Molecular Formula

C₁₁H₁₂FNO

SMILES

CC(=O)N(C)/C=C/C1=CC=CC=C1F

InChI

InChI=1S/C11H12FNO/c1-9(14)13(2)8-7-10-5-3-4-6-11(10)12/h3-8H,1-2H3/b8-7+

InChIKey

GSHPXQTVJRVXSS-BQYQJAHWSA-N

Compound name

N-[(E)-2-(2-fluorophenyl)ethenyl]-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 193.09029 Da
Monoisotopic Mass: 1.8
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]+	194.09757	140.6
[M+Na]+	216.07951	148.0
[M-H]-	192.08301	144.5
[M+NH4]+	211.12411	160.7
[M+K]+	232.05345	146.3
[M+H-H2O]+	176.08755	133.5
[M+HCOO]-	238.08849	164.7
[M+CH3COO]-	252.10414	189.3
[M+Na-2H]-	214.06496	144.8
[M]+	193.08974	140.3
[M]-	193.09084	140.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.