CID 138394285

1-octanesulfonamide, n-[3-(dimethyloxidoamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-

Structural Information

Molecular Formula
C13H17F13N2O3S
SMILES
C[N+](C)(CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-]
InChI
InChI=1S/C13H17F13N2O3S/c1-28(2,29)6-3-5-27-32(30,31)7-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h27H,3-7H2,1-2H3
InChIKey
KBDMGVIUNQWTND-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
3
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 200.3
[M+Na]+ 551.06448 203.7
[M-H]- 527.06798 206.7
[M+NH4]+ 546.10908 208.1
[M+K]+ 567.03842 212.6
[M+H-H2O]+ 511.07252 180.0
[M+HCOO]- 573.07346 219.6
[M+CH3COO]- 587.08911 236.1
[M+Na-2H]- 549.04993 193.9
[M]+ 528.07471 196.9
[M]- 528.07581 196.9
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.