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
2
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]+ 529.082536 182.0
[M+Na]+ 551.064478 188.1
[M-H]- 527.067984 189.1
[M+NH4]+ 546.109083 189.9
[M+K]+ 567.038418 193.7
[M+H-H2O]+ 511.072520 171.0
[M+HCOO]- 573.073461 196.9
[M+CH3COO]- 587.089111 243.8
[M+Na-2H]- 549.049926 177.7
[M]+ 528.07471142 179.4
[M]- 528.07580858 179.4
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.