CID 105439

Einecs 266-727-2

Structural Information

Molecular Formula
C12H11Cl3F15NO2SSi
SMILES
CCN(CCC[Si](Cl)(Cl)Cl)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H11Cl3F15NO2SSi/c1-2-31(4-3-5-35(13,14)15)34(32,33)12(29,30)10(24,25)8(20,21)6(16,17)7(18,19)9(22,23)11(26,27)28/h2-5H2,1H3
InChIKey
FGUIJRKFZDKNCE-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(3-trichlorosilylpropyl)heptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

650.9106 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.91788 194.6
[M+Na]+ 673.89982 201.2
[M-H]- 649.90332 204.7
[M+NH4]+ 668.94442 208.0
[M+K]+ 689.87376 211.4
[M+H-H2O]+ 633.90786 185.1
[M+HCOO]- 695.90880 213.1
[M+CH3COO]- 709.92445 253.7
[M+Na-2H]- 671.88527 193.9
[M]+ 650.91005 202.8
[M]- 650.91115 202.8
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.