CID 11016909

17352-09-9

Structural Information

Molecular Formula
C9H2F18O3S
SMILES
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C9H2F18O3S/c10-2(11,1-30-31(28,29)9(25,26)27)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1H2
InChIKey
QUAJSEUQBPUVAU-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

531.9437 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.95098 169.2
[M+Na]+ 554.93292 173.1
[M-H]- 530.93642 176.0
[M+NH4]+ 549.97752 179.7
[M+K]+ 570.90686 182.0
[M+H-H2O]+ 514.94096 158.1
[M+HCOO]- 576.94190 190.5
[M+CH3COO]- 590.95755 237.1
[M+Na-2H]- 552.91837 168.5
[M]+ 531.94315 170.6
[M]- 531.94425 170.6
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