CID 225443

N,n-diethyl-2,2,2-trifluoroacetamide

Structural Information

Molecular Formula

C₆H₁₀F₃NO

SMILES

CCN(CC)C(=O)C(F)(F)F

InChI

InChI=1S/C6H10F3NO/c1-3-10(4-2)5(11)6(7,8)9/h3-4H2,1-2H3

InChIKey

CODXZFSZJFCVBE-UHFFFAOYSA-N

Compound name

N,N-diethyl-2,2,2-trifluoroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 235
Patents: 169.07144 Da
Monoisotopic Mass: 1.6
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]+	170.07872	131.8
[M+Na]+	192.06066	139.1
[M-H]-	168.06416	129.8
[M+NH4]+	187.10526	152.7
[M+K]+	208.03460	139.7
[M+H-H2O]+	152.06870	124.6
[M+HCOO]-	214.06964	151.9
[M+CH3COO]-	228.08529	184.7
[M+Na-2H]-	190.04611	136.0
[M]+	169.07089	129.2
[M]-	169.07199	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe