CID 13568447

23790-49-0

Structural Information

Molecular Formula

C₆F₁₁N

SMILES

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

InChI

InChI=1S/C6F11N/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17

InChIKey

SIRKRRJSXWDMMJ-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 294.9855 Da
Monoisotopic Mass: 3.8
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]+	295.99278	143.1
[M+Na]+	317.97472	152.4
[M-H]-	293.97822	132.1
[M+NH4]+	313.01932	155.6
[M+K]+	333.94866	151.7
[M+H-H2O]+	277.98276	125.7
[M+HCOO]-	339.98370	146.2
[M+CH3COO]-	353.99935	212.5
[M+Na-2H]-	315.96017	147.4
[M]+	294.98495	122.6
[M]-	294.98605	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe