CID 139594958

Kpflsa_i n=8

Structural Information

Molecular Formula
C9HF17O4S
SMILES
C(=O)(C(C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C9HF17O4S/c10-1(27)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)31(28,29)30/h(H,28,29,30)
InChIKey
FRTQGKCQPPSKJQ-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoro-9-oxononane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.93243 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.93971 164.1
[M+Na]+ 550.92165 164.1
[M+NH4]+ 545.96625 163.8
[M+K]+ 566.89559 164.3
[M-H]- 526.92515 162.6
[M+Na-2H]- 548.90710 164.2
[M]+ 527.93188 163.6
[M]- 527.93298 163.6
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

No patent data available for this compound.