CID 9749

Ethyl fluoroacetamidoacetate

Structural Information

Molecular Formula

C₆H₁₀FNO₃

SMILES

CCOC(=O)CNC(=O)CF

InChI

InChI=1S/C6H10FNO3/c1-2-11-6(10)4-8-5(9)3-7/h2-4H2,1H3,(H,8,9)

InChIKey

QIWSVAKAGUNSIK-UHFFFAOYSA-N

Compound name

ethyl 2-[(2-fluoroacetyl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.06447 Da
Monoisotopic Mass: 0.2
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]+	164.07175	132.3
[M+Na]+	186.05369	138.8
[M-H]-	162.05719	131.3
[M+NH4]+	181.09829	152.6
[M+K]+	202.02763	139.3
[M+H-H2O]+	146.06173	126.2
[M+HCOO]-	208.06267	155.2
[M+CH3COO]-	222.07832	179.2
[M+Na-2H]-	184.03914	136.5
[M]+	163.06392	133.0
[M]-	163.06502	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.