CID 138394448

N,n-dimethyl-3-{[(nonadecafluorononyl)sulfonyl]amino}-1-propanamine n-oxide

Structural Information

Molecular Formula
C14H13F19N2O3S
SMILES
C[N+](C)(CCCNS(=O)(=O)C(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)(F)F)[O-]
InChI
InChI=1S/C14H13F19N2O3S/c1-35(2,36)5-3-4-34-39(37,38)14(32,33)12(27,28)10(23,24)8(19,20)6(15,16)7(17,18)9(21,22)11(25,26)13(29,30)31/h34H,3-5H2,1-2H3
InChIKey
KKKSNOHNFSYZAP-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononylsulfonylamino)propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

650.03436 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.04164 212.4
[M+Na]+ 673.02358 214.5
[M-H]- 649.02708 223.3
[M+NH4]+ 668.06818 223.1
[M+K]+ 688.99752 228.0
[M+H-H2O]+ 633.03162 190.6
[M+HCOO]- 695.03256 230.6
[M+CH3COO]- 709.04821 252.7
[M+Na-2H]- 671.00903 208.1
[M]+ 650.03381 209.2
[M]- 650.03491 209.2
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.