CID 122480878

Schembl18007829

Structural Information

Molecular Formula
C6H5F9O3S
SMILES
CC(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C6H5F9O3S/c1-2(7)3(8,9)4(10,11)5(12,13)6(14,15)19(16,17)18/h2H,1H3,(H,16,17,18)
InChIKey
OYEMCXOSIPKXPY-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

327.98157 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.988846 152.6
[M+Na]+ 350.970788 160.8
[M-H]- 326.974294 140.8
[M+NH4]+ 346.015393 165.2
[M+K]+ 366.944728 158.1
[M+H-H2O]+ 310.978830 141.7
[M+HCOO]- 372.979771 152.7
[M+CH3COO]- 386.995421 201.8
[M+Na-2H]- 348.956236 155.2
[M]+ 327.98102142 141.2
[M]- 327.98211858 141.2
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.