CID 14291998

94718-24-8

Structural Information

Molecular Formula

C₉F₁₉N

SMILES

C1(C(C(N(C1(F)F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C9F19N/c10-1(11,2(12,13)6(20,21)22)3(14,15)7(23,24)29-8(25,26)4(16,17)5(18,19)9(29,27)28

InChIKey

PPIFMJXJHBIWAY-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 482.97275 Da
Monoisotopic Mass: 6.8
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]+	483.980026	182.2
[M+Na]+	505.961968	196.8
[M-H]-	481.965474	167.2
[M+NH4]+	501.006573	196.6
[M+K]+	521.935908	192.5
[M+H-H2O]+	465.970010	169.6
[M+HCOO]-	527.970951	177.1
[M+CH3COO]-	541.986601	233.7
[M+Na-2H]-	503.947416	183.9
[M]+	482.97220142	155.9
[M]-	482.97329858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe