CID 13030143

1-(nonafluorobutyl)trifluoroethanesultone

Structural Information

Molecular Formula
C6F12O3S
SMILES
C1(C(OS1(=O)=O)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C6F12O3S/c7-1(8,3(11,12)5(14,15)16)2(9,10)4(13)6(17,18)21-22(4,19)20
InChIKey
SIWFNBUDPFBKPU-UHFFFAOYSA-N
Compound name
3,4,4-trifluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxathietane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

379.93765 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.94493 189.7
[M+Na]+ 402.92687 189.1
[M+NH4]+ 397.97147 188.7
[M+K]+ 418.90081 186.3
[M-H]- 378.93037 184.2
[M+Na-2H]- 400.91232 187.3
[M]+ 379.93710 187.8
[M]- 379.93820 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.