CID 138394285

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

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]+ 529.082536 200.3
[M+Na]+ 551.064478 203.7
[M-H]- 527.067984 206.7
[M+NH4]+ 546.109083 208.1
[M+K]+ 567.038418 212.6
[M+H-H2O]+ 511.072520 180.0
[M+HCOO]- 573.073461 219.6
[M+CH3COO]- 587.089111 236.1
[M+Na-2H]- 549.049926 193.9
[M]+ 528.07471142 196.9
[M]- 528.07580858 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.