CID 12534877

72804-48-9

Structural Information

Molecular Formula

C₆F₁₂O

SMILES

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

InChI

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

InChIKey

HBBPUTOQGBFWPQ-UHFFFAOYSA-N

Compound name

2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 32
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]+	316.98302	137.0
[M+Na]+	338.96496	149.1
[M-H]-	314.96846	129.2
[M+NH4]+	334.00956	148.5
[M+K]+	354.93890	148.1
[M+H-H2O]+	298.97300	125.4
[M+HCOO]-	360.97394	141.2
[M+CH3COO]-	374.98959	206.8
[M+Na-2H]-	336.95041	144.6
[M]+	315.97519	124.5
[M]-	315.97629	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe