CID 2776067

Nonadecafluorodecanenitrile

Structural Information

Molecular Formula

C₁₀F₁₉N

SMILES

C(#N)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)(F)F

InChI

InChI=1S/C10F19N/c11-2(12,1-30)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29

InChIKey

QXBUHLMUCFBZOL-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 494.97275 Da
Monoisotopic Mass: 6.5
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]+	495.980026	175.4
[M+Na]+	517.961968	182.0
[M-H]-	493.965474	183.2
[M+NH4]+	513.006573	184.6
[M+K]+	533.935908	189.8
[M+H-H2O]+	477.970010	164.0
[M+HCOO]-	539.970951	194.5
[M+CH3COO]-	553.986601	243.1
[M+Na-2H]-	515.947416	177.8
[M]+	494.97220142	174.1
[M]-	494.97329858	174.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe