CID 2776259

1h,1h-perfluorononylamine

Structural Information

Molecular Formula

C₉H₄F₁₇N

SMILES

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

InChI

InChI=1S/C9H4F17N/c10-2(11,1-27)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h1,27H2

InChIKey

IHVFAVFXCUPMEN-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 62
Patents: 449.00723 Da
Monoisotopic Mass: 5.1
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]+	450.014506	187.1
[M+Na]+	471.996448	163.2
[M-H]-	447.999954	162.7
[M+NH4]+	467.041053	162.6
[M+K]+	487.970388	192.2
[M+H-H2O]+	432.004490	171.5
[M+HCOO]-	494.005431	175.4
[M+CH3COO]-	508.021081	232.3
[M+Na-2H]-	469.981896	189.0
[M]+	449.00668142	152.7
[M]-	449.00777858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe