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
2
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 168.3
[M+Na]+ 418.95818 177.2
[M-H]- 394.96168 154.8
[M+NH4]+ 414.00278 159.3
[M+K]+ 434.93212 174.1
[M+H-H2O]+ 378.96622 154.8
[M+HCOO]- 440.96716 174.5
[M+CH3COO]- 454.98281 214.4
[M+Na-2H]- 416.94363 171.3
[M]+ 395.96841 154.4
[M]- 395.96951 154.4
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