CID 6435640

100908-67-6

Structural Information

Molecular Formula

C₁₁H₁₀F₃NO

SMILES

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

InChI

InChI=1S/C11H10F3NO/c1-7(10(15)16)5-8-3-2-4-9(6-8)11(12,13)14/h2-6H,1H3,(H2,15,16)/b7-5+

InChIKey

GTRACVMHUGGMSH-FNORWQNLSA-N

Compound name

(E)-2-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 229.07144 Da
Monoisotopic Mass: 2.5
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]+	230.078716	146.7
[M+Na]+	252.060658	154.2
[M-H]-	228.064164	146.0
[M+NH4]+	247.105263	164.2
[M+K]+	268.034598	150.7
[M+H-H2O]+	212.068700	138.5
[M+HCOO]-	274.069641	164.9
[M+CH3COO]-	288.085291	191.9
[M+Na-2H]-	250.046106	148.8
[M]+	229.07089142	140.5
[M]-	229.07198858	140.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.