CID 3016044

39108-34-4

Structural Information

Molecular Formula
C10H5F17O3S
SMILES
C(CS(=O)(=O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F17O3S/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H,28,29,30)
InChIKey
ALVYVCQIFHTIRD-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

38
References

250
Patents

527.9688 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.97608 164.2
[M+Na]+ 550.95802 164.2
[M+NH4]+ 546.00262 163.9
[M+K]+ 566.93196 164.3
[M-H]- 526.96152 162.7
[M+Na-2H]- 548.94347 164.3
[M]+ 527.96825 163.7
[M]- 527.96935 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe