CID 2777144

2,2,2-trifluoroethyl perfluorobutylsulfonate

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
3
Annotation Hits

0
References

312
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 163.8
[M+Na]+ 404.94252 173.1
[M-H]- 380.94602 150.5
[M+NH4]+ 399.98712 174.8
[M+K]+ 420.91646 170.3
[M+H-H2O]+ 364.95056 150.5
[M+HCOO]- 426.95150 162.0
[M+CH3COO]- 440.96715 211.7
[M+Na-2H]- 402.92797 167.2
[M]+ 381.95275 149.6
[M]- 381.95385 149.6
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