CID 91726861

Vqvkuewrcjynca-uhfffaoysa-n

Structural Information

Molecular Formula

C₆H₆F₅NO₃

SMILES

COC(=O)CNC(=O)C(C(F)(F)F)(F)F

InChI

InChI=1S/C6H6F5NO3/c1-15-3(13)2-12-4(14)5(7,8)6(9,10)11/h2H2,1H3,(H,12,14)

InChIKey

VQVKUEWRCJYNCA-UHFFFAOYSA-N

Compound name

methyl 2-(2,2,3,3,3-pentafluoropropanoylamino)acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 235.02678 Da
Monoisotopic Mass: 1.2
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]+	236.03406	140.6
[M+Na]+	258.01600	148.3
[M-H]-	234.01950	134.8
[M+NH4]+	253.06060	157.8
[M+K]+	273.98994	147.9
[M+H-H2O]+	218.02404	132.1
[M+HCOO]-	280.02498	156.2
[M+CH3COO]-	294.04063	190.5
[M+Na-2H]-	256.00145	144.3
[M]+	235.02623	135.0
[M]-	235.02733	135.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.