CID 2782207

154628-00-9

Structural Information

Molecular Formula

C₂₀H₂₉F₁₃

SMILES

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

InChI

InChI=1S/C20H29F13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(21,22)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33/h2-14H2,1H3

InChIKey

BREOHRVZEZMFOB-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoroicosane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 516.2062 Da
Monoisotopic Mass: 11.9
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]+	517.21348	186.9
[M+Na]+	539.19542	186.7
[M+NH4]+	534.24002	185.9
[M+K]+	555.16936	184.9
[M-H]-	515.19892	182.4
[M+Na-2H]-	537.18087	184.7
[M]+	516.20565	185.4
[M]-	516.20675	185.4

Literature stripe

literature stripe

Patent stripe

patents stripe