CID 44426086

Chembl230477

Structural Information

Molecular Formula

C₁₀H₁₀FNO

SMILES

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

InChI

InChI=1S/C10H10FNO/c1-8(13)12-7-6-9-2-4-10(11)5-3-9/h2-7H,1H3,(H,12,13)/b7-6+

InChIKey

LGHVZLQRJXDXHW-VOTSOKGWSA-N

Compound name

N-[(E)-2-(4-fluorophenyl)ethenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 179.07465 Da
Monoisotopic Mass: 1.6
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]+	180.081926	136.3
[M+Na]+	202.063868	143.9
[M-H]-	178.067374	138.8
[M+NH4]+	197.108473	156.2
[M+K]+	218.037808	141.0
[M+H-H2O]+	162.071910	129.5
[M+HCOO]-	224.072851	160.2
[M+CH3COO]-	238.088501	182.7
[M+Na-2H]-	200.049316	141.8
[M]+	179.07410142	134.3
[M]-	179.07519858	134.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.