CID 99769064

Dtxsid10895282

Structural Information

Molecular Formula

C₁₆H₁₆F₁₈

SMILES

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

InChI

InChI=1S/C16H16F18/c17-9(18,11(21,22)13(25,26)15(29,30)31)7-5-3-1-2-4-6-8-10(19,20)12(23,24)14(27,28)16(32,33)34/h1-8H2

InChIKey

PYHMZNIOZVWFDK-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,13,13,14,14,15,15,16,16,16-octadecafluorohexadecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10
Patents: 550.09644 Da
Monoisotopic Mass: 10.1
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]+	551.103716	183.9
[M+Na]+	573.085658	189.1
[M-H]-	549.089164	186.8
[M+NH4]+	568.130263	191.7
[M+K]+	589.059598	199.0
[M+H-H2O]+	533.093700	173.1
[M+HCOO]-	595.094641	202.5
[M+CH3COO]-	609.110291	247.9
[M+Na-2H]-	571.071106	181.4
[M]+	550.09589142	181.8
[M]-	550.09698858	181.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe