CID 137264

1939-27-1

Structural Information

Molecular Formula

C₁₁H₁₂F₃NO

SMILES

CC(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C11H12F3NO/c1-7(2)10(16)15-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)

InChIKey

GETMKVRSDFVVHL-UHFFFAOYSA-N

Compound name

2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 146
Patents: 231.0871 Da
Monoisotopic Mass: 3.6
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]+	232.09438	147.6
[M+Na]+	254.07632	154.7
[M-H]-	230.07982	147.4
[M+NH4]+	249.12092	165.3
[M+K]+	270.05026	152.3
[M+H-H2O]+	214.08436	139.2
[M+HCOO]-	276.08530	166.2
[M+CH3COO]-	290.10095	193.4
[M+Na-2H]-	252.06177	150.7
[M]+	231.08655	143.0
[M]-	231.08765	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe