CID 21295225

2-(perfluoropropyl)glycine

Structural Information

Molecular Formula

C₅H₄F₇NO₂

SMILES

C(C(=O)O)(C(C(C(F)(F)F)(F)F)(F)F)N

InChI

InChI=1S/C5H4F7NO2/c6-3(7,1(13)2(14)15)4(8,9)5(10,11)12/h1H,13H2,(H,14,15)

InChIKey

XDCREYRIKFLHDN-UHFFFAOYSA-N

Compound name

2-amino-3,3,4,4,5,5,5-heptafluoropentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 243.01303 Da
Monoisotopic Mass: -0.9
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]+	244.020306	139.2
[M+Na]+	266.002248	146.9
[M-H]-	242.005754	129.2
[M+NH4]+	261.046853	154.8
[M+K]+	281.976188	145.3
[M+H-H2O]+	226.010290	129.9
[M+HCOO]-	288.011231	148.8
[M+CH3COO]-	302.026881	191.1
[M+Na-2H]-	263.987696	141.5
[M]+	243.01248142	126.1
[M]-	243.01357858	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe