CID 163408214

Kgqbapgqjslzsk-uhfffaoysa-n

Structural Information

Molecular Formula
C13H17F13N2O3S
SMILES
CN(CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO
InChI
InChI=1S/C13H17F13N2O3S/c1-28(7-29)5-2-4-27-32(30,31)6-3-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h27,29H,2-7H2,1H3
InChIKey
KGQBAPGQJSLZSK-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-[3-[hydroxymethyl(methyl)amino]propyl]octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.07526 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.08254 185.2
[M+Na]+ 551.06448 184.4
[M+NH4]+ 546.10908 183.9
[M+K]+ 567.03842 183.2
[M-H]- 527.06798 180.5
[M+Na-2H]- 549.04993 182.9
[M]+ 528.07471 183.6
[M]- 528.07581 183.6
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

No patent data available for this compound.