CID 2777144

79963-95-4

Structural Information

Molecular Formula
C6H2F12O3S
SMILES
C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H2F12O3S/c7-2(8,9)1-21-22(19,20)6(17,18)4(12,13)3(10,11)5(14,15)16/h1H2
InChIKey
KJGYBFLEIPDFNQ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

307
Patents

381.9533 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.96058 185.7
[M+Na]+ 404.94252 185.4
[M+NH4]+ 399.98712 184.5
[M+K]+ 420.91646 183.7
[M-H]- 380.94602 179.9
[M+Na-2H]- 402.92797 183.0
[M]+ 381.95275 183.9
[M]- 381.95385 183.9
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

patents stripe