CID 22465757

171182-86-8

Structural Information

Molecular Formula
C7H4F12O3S
SMILES
C(COS(=O)(=O)C(F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H4F12O3S/c8-3(9,1-2-22-23(20,21)7(17,18)19)4(10,11)5(12,13)6(14,15)16/h1-2H2
InChIKey
BZPMRPBNUBBPDV-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluorohexyl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

395.96896 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.97624 186.6
[M+Na]+ 418.95818 186.3
[M+NH4]+ 414.00278 185.4
[M+K]+ 434.93212 184.5
[M-H]- 394.96168 180.8
[M+Na-2H]- 416.94363 183.8
[M]+ 395.96841 184.8
[M]- 395.96951 184.8
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

patents stripe