CID 13451001

Perfluoro-5-(pentafluoroethyl)oxolane

Structural Information

Molecular Formula

C₆F₁₂O

SMILES

C1(C(C(OC1(C(C(F)(F)F)(F)F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C6F12O/c7-1(8)2(9,10)6(17,18)19-4(1,13)3(11,12)5(14,15)16

InChIKey

AJYRBQGTPUSTHS-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,2-pentafluoroethyl)oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 218
Patents: 315.97574 Da
Monoisotopic Mass: 4.1
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]+	316.983016	141.1
[M+Na]+	338.964958	155.4
[M-H]-	314.968464	133.0
[M+NH4]+	334.009563	163.2
[M+K]+	354.938898	153.5
[M+H-H2O]+	298.973000	132.3
[M+HCOO]-	360.973941	148.1
[M+CH3COO]-	374.989591	203.3
[M+Na-2H]-	336.950406	146.6
[M]+	315.97519142	126.1
[M]-	315.97628858	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe