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
3
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 162.8
[M+Na]+ 402.92687 172.8
[M-H]- 378.93037 153.7
[M+NH4]+ 397.97147 172.4
[M+K]+ 418.90081 173.6
[M+H-H2O]+ 362.93491 149.0
[M+HCOO]- 424.93585 161.6
[M+CH3COO]- 438.95150 212.9
[M+Na-2H]- 400.91232 167.8
[M]+ 379.93710 158.5
[M]- 379.93820 158.5
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.