CID 99769065

Dtxsid60895378

Structural Information

Molecular Formula

C₁₈H₁₆F₂₂

SMILES

C(CCCCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C18H16F22/c19-9(20,11(23,24)13(27,28)15(31,32)17(35,36)37)7-5-3-1-2-4-6-8-10(21,22)12(25,26)14(29,30)16(33,34)18(38,39)40/h1-8H2

InChIKey

HCYPERYYAZDFLK-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,14,14,15,15,16,16,17,17,18,18,18-docosafluorooctadecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 650.0901 Da
Monoisotopic Mass: 11.4
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]+	651.097376	197.3
[M+Na]+	673.079318	201.3
[M-H]-	649.082824	203.0
[M+NH4]+	668.123923	206.9
[M+K]+	689.053258	214.4
[M+H-H2O]+	633.087360	184.8
[M+HCOO]-	695.088301	214.9
[M+CH3COO]-	709.103951	260.8
[M+Na-2H]-	671.064766	195.6
[M]+	650.08955142	194.9
[M]-	650.09064858	194.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.