CID 21118473

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

Structural Information

Molecular Formula
C8F16O2S
SMILES
C1(C(C(C(C(C1(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)F
InChI
InChI=1S/C8F16O2S/c9-1(3(12,13)8(21,22)23)2(10,11)4(14,15)5(16,17)6(18,19)7(1,20)27(24,25)26
InChIKey
AETAZWKHJUBBOA-UHFFFAOYSA-N
Compound name
1,2,2,3,3,4,4,5,5,6-decafluoro-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.93634 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.