CID 13019735

[3-(heptadecafluorooctylsulfonylamino)propyl]dimethylamine n-oxide

Structural Information

Molecular Formula
C13H13F17N2O3S
SMILES
C[N+](C)(CCCNS(=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)[O-]
InChI
InChI=1S/C13H13F17N2O3S/c1-32(2,33)5-3-4-31-36(34,35)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h31H,3-5H2,1-2H3
InChIKey
NPRHMPPFGZNNJX-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)-N,N-dimethylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

600.03754 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.04482 205.7
[M+Na]+ 623.02676 208.4
[M-H]- 599.03026 215.6
[M+NH4]+ 618.07136 215.6
[M+K]+ 639.00070 220.4
[M+H-H2O]+ 583.03480 184.3
[M+HCOO]- 645.03574 224.7
[M+CH3COO]- 659.05139 246.1
[M+Na-2H]- 621.01221 201.0
[M]+ 600.03699 202.5
[M]- 600.03809 202.5
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.