CID 87246901

Perfluorotetramethylethylene oxide

Structural Information

Molecular Formula

C₆F₁₂O

SMILES

C1(C(O1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F

InChI

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

InChIKey

NFUWEAMDFKXVFH-UHFFFAOYSA-N

Compound name

2,2,3,3-tetrakis(trifluoromethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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	137.3
[M+Na]+	338.964958	149.7
[M-H]-	314.968464	129.6
[M+NH4]+	334.009563	149.1
[M+K]+	354.938898	148.7
[M+H-H2O]+	298.973000	125.9
[M+HCOO]-	360.973941	141.6
[M+CH3COO]-	374.989591	205.0
[M+Na-2H]-	336.950406	144.9
[M]+	315.97519142	124.7
[M]-	315.97628858	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe