CID 109197

Decafluoro(pentafluoroethyl)cyclohexanesulfonyl fluoride

Structural Information

Molecular Formula

C₈F₁₆O₂S

SMILES

C1(C(C(C(C(C1(F)F)(F)F)(F)S(=O)(=O)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)F

InChI

InChI=1S/C8F16O2S/c9-1(4(14,15)8(21,22)23)2(10,11)5(16,17)7(20,27(24,25)26)6(18,19)3(1,12)13

InChIKey

ZUNLKLHLASQCRH-UHFFFAOYSA-N

Compound name

1,2,2,3,3,4,5,5,6,6-decafluoro-4-(1,1,2,2,2-pentafluoroethyl)cyclohexane-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3
Patents: 463.93634 Da
Monoisotopic Mass: 4.9
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]+	464.943616	161.5
[M+Na]+	486.925558	176.6
[M-H]-	462.929064	149.0
[M+NH4]+	481.970163	180.2
[M+K]+	502.899498	173.2
[M+H-H2O]+	446.933600	152.1
[M+HCOO]-	508.934541	157.5
[M+CH3COO]-	522.950191	226.4
[M+Na-2H]-	484.911006	166.6
[M]+	463.93579142	144.3
[M]-	463.93688858	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe