CID 12520939

Decafluoro-1,2-epoxycyclohexane

Structural Information

Molecular Formula

C₆F₁₀O

SMILES

C12(C(O1)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F

InChI

InChI=1S/C6F10O/c7-1(8)2(9,10)4(13,14)6(16)5(15,17-6)3(1,11)12

InChIKey

ZWSICHXNVFXDHH-UHFFFAOYSA-N

Compound name

1,2,2,3,3,4,4,5,5,6-decafluoro-7-oxabicyclo[4.1.0]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 141
Patents: 277.97894 Da
Monoisotopic Mass: 3.0
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]+	278.986216	128.0
[M+Na]+	300.968158	144.2
[M-H]-	276.971664	124.8
[M+NH4]+	296.012763	149.6
[M+K]+	316.942098	145.2
[M+H-H2O]+	260.976200	120.4
[M+HCOO]-	322.977141	135.8
[M+CH3COO]-	336.992791	201.6
[M+Na-2H]-	298.953606	136.8
[M]+	277.97839142	121.9
[M]-	277.97948858	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe