CID 3324523

2-(propylamino)-n-(2,3,4-trifluorophenyl)acetamide

Structural Information

Molecular Formula

C₁₁H₁₃F₃N₂O

SMILES

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

InChI

InChI=1S/C11H13F3N2O/c1-2-5-15-6-9(17)16-8-4-3-7(12)10(13)11(8)14/h3-4,15H,2,5-6H2,1H3,(H,16,17)

InChIKey

VUXHVSPOHOOGNK-UHFFFAOYSA-N

Compound name

2-(propylamino)-N-(2,3,4-trifluorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.09799 Da
Monoisotopic Mass: 1.9
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]+	247.105266	151.2
[M+Na]+	269.087208	159.0
[M-H]-	245.090714	151.1
[M+NH4]+	264.131813	168.4
[M+K]+	285.061148	155.5
[M+H-H2O]+	229.095250	142.0
[M+HCOO]-	291.096191	173.2
[M+CH3COO]-	305.111841	200.3
[M+Na-2H]-	267.072656	153.6
[M]+	246.09744142	147.9
[M]-	246.09853858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.