CID 99647890

Dtxsid30895345

Structural Information

Molecular Formula

C₁₄H₄F₂₆

SMILES

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

InChI

InChI=1S/C14H4F26/c15-3(16,1-2-4(17,18)6(21,22)11(31,32)13(35,36)37)5(19,20)7(23,24)8(25,26)9(27,28)10(29,30)12(33,34)14(38,39)40/h1-2H2

InChIKey

CFRLBNSVJIEGSV-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,11,11,12,12,13,13,14,14,14-hexacosafluorotetradecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 665.9898 Da
Monoisotopic Mass: 9.9
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]+	666.997076	191.1
[M+Na]+	688.979018	194.9
[M-H]-	664.982524	200.4
[M+NH4]+	684.023623	202.0
[M+K]+	704.952958	208.6
[M+H-H2O]+	648.987060	178.3
[M+HCOO]-	710.988001	209.2
[M+CH3COO]-	725.003651	259.5
[M+Na-2H]-	686.964466	192.8
[M]+	665.98925142	188.9
[M]-	665.99034858	188.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.