CID 44426095

Chembl387711

Structural Information

Molecular Formula

C₁₁H₁₀F₃NO

SMILES

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

InChI

InChI=1S/C11H10F3NO/c1-8(16)15-7-6-9-2-4-10(5-3-9)11(12,13)14/h2-7H,1H3,(H,15,16)/b7-6+

InChIKey

IHQYPPBXFSUTLQ-VOTSOKGWSA-N

Compound name

N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 229.07144 Da
Monoisotopic Mass: 2.4
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]+	230.07872	146.5
[M+Na]+	252.06066	154.3
[M-H]-	228.06416	146.3
[M+NH4]+	247.10526	164.4
[M+K]+	268.03460	150.7
[M+H-H2O]+	212.06870	138.2
[M+HCOO]-	274.06964	166.3
[M+CH3COO]-	288.08529	191.0
[M+Na-2H]-	250.04611	150.9
[M]+	229.07089	141.8
[M]-	229.07199	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe