CID 527539

Perfluoroundecane

Structural Information

Molecular Formula

C₁₁F₂₄

SMILES

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

InChI

InChI=1S/C11F24/c12-1(13,2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32)3(16,17)5(20,21)7(24,25)9(28,29)11(33,34)35

InChIKey

VCIVYCHKSHULON-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tetracosafluoroundecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 210
Patents: 587.9617 Da
Monoisotopic Mass: 8.5
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]+	588.968976	176.9
[M+Na]+	610.950918	181.5
[M-H]-	586.954424	185.8
[M+NH4]+	605.995523	187.4
[M+K]+	626.924858	193.5
[M+H-H2O]+	570.958960	164.7
[M+HCOO]-	632.959901	196.4
[M+CH3COO]-	646.975551	250.0
[M+Na-2H]-	608.936366	179.0
[M]+	587.96115142	175.0
[M]-	587.96224858	175.0

Literature stripe

literature stripe

Patent stripe

patents stripe