CID 21923676

Undecafluoropentan-1-amine

Structural Information

Molecular Formula

C₅H₂F₁₁N

SMILES

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

InChI

InChI=1S/C5H2F11N/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17/h17H2

InChIKey

XHQGNGKOLZXYPC-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,5-undecafluoropentan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 171
Patents: 285.00116 Da
Monoisotopic Mass: 3.2
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]+	286.008436	147.8
[M+Na]+	307.990378	157.0
[M-H]-	283.993884	135.2
[M+NH4]+	303.034983	162.0
[M+K]+	323.964318	154.4
[M+H-H2O]+	267.998420	135.8
[M+HCOO]-	329.999361	152.6
[M+CH3COO]-	344.015011	202.7
[M+Na-2H]-	305.975826	151.9
[M]+	285.00061142	128.5
[M]-	285.00170858	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe