CID 198565

74696-73-4

Structural Information

Molecular Formula

C₁₁H₁₂F₃NO₂

SMILES

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

InChI

InChI=1S/C11H12F3NO2/c1-2-9(16)15-8-5-3-7(4-6-8)10(17)11(12,13)14/h3-6,10,17H,2H2,1H3,(H,15,16)

InChIKey

NKBABNRRDTZGJV-UHFFFAOYSA-N

Compound name

N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]propanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 247.08202 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]+	248.089296	151.1
[M+Na]+	270.071238	157.7
[M-H]-	246.074744	149.4
[M+NH4]+	265.115843	167.3
[M+K]+	286.045178	154.9
[M+H-H2O]+	230.079280	142.7
[M+HCOO]-	292.080221	168.4
[M+CH3COO]-	306.095871	192.9
[M+Na-2H]-	268.056686	153.7
[M]+	247.08147142	146.1
[M]-	247.08256858	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe