CID 99769079

Dtxsid90895326

Structural Information

Molecular Formula

C₁₈H₂₀F₁₈

SMILES

C(CCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C18H20F18/c19-11(20,13(23,24)15(27,28)17(31,32)33)9-7-5-3-1-2-4-6-8-10-12(21,22)14(25,26)16(29,30)18(34,35)36/h1-10H2

InChIKey

UNNUZQVXLSJZPN-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,15,15,16,16,17,17,18,18,18-octadecafluorooctadecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 578.12775 Da
Monoisotopic Mass: 11.2
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]+	579.135026	191.2
[M+Na]+	601.116968	196.0
[M-H]-	577.120474	193.5
[M+NH4]+	596.161573	198.9
[M+K]+	617.090908	206.6
[M+H-H2O]+	561.125010	180.1
[M+HCOO]-	623.125951	209.1
[M+CH3COO]-	637.141601	252.7
[M+Na-2H]-	599.102416	187.7
[M]+	578.12720142	188.8
[M]-	578.12829858	188.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.