CID 11449895

788-67-0

Structural Information

Molecular Formula

C₆F₁₂O

SMILES

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

InChI

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

InChIKey

NOESGFSFSJKFIF-UHFFFAOYSA-N

Compound name

2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
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	137.2
[M+Na]+	338.964958	149.5
[M-H]-	314.968464	129.5
[M+NH4]+	334.009563	148.9
[M+K]+	354.938898	148.5
[M+H-H2O]+	298.973000	125.7
[M+HCOO]-	360.973941	141.5
[M+CH3COO]-	374.989591	205.6
[M+Na-2H]-	336.950406	144.8
[M]+	315.97519142	124.6
[M]-	315.97628858	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe