CID 163198791

Wipmntyssrxand-uhfffaoysa-n

Structural Information

Molecular Formula

C₁₁H₆F₁₅NO₃

SMILES

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

InChI

InChI=1S/C11H6F15NO3/c12-5(13,4(30)27-2-1-3(28)29)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h1-2H2,(H,27,30)(H,28,29)

InChIKey

WIPMNTYSSRXAND-UHFFFAOYSA-N

Compound name

3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 485.0108 Da
Monoisotopic Mass: 4.2
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]+	486.018076	165.4
[M+Na]+	508.000018	172.4
[M-H]-	484.003524	175.4
[M+NH4]+	503.044623	174.6
[M+K]+	523.973958	178.0
[M+H-H2O]+	468.008060	155.7
[M+HCOO]-	530.009001	180.2
[M+CH3COO]-	544.024651	233.9
[M+Na-2H]-	505.985466	164.1
[M]+	485.01025142	161.1
[M]-	485.01134858	161.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.