CID 14252186

Dtxsid801033541

Structural Information

Molecular Formula
C15H16F19N2O2S
SMILES
C[N+](C)(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
InChI
InChI=1S/C15H16F19N2O2S/c1-36(2,3)6-4-5-35-39(37,38)15(33,34)13(28,29)11(24,25)9(20,21)7(16,17)8(18,19)10(22,23)12(26,27)14(30,31)32/h35H,4-6H2,1-3H3/q+1
InChIKey
NPXHXKQJVSCTPM-UHFFFAOYSA-N
Compound name
trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

649.0629 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 650.07018 214.4
[M+Na]+ 672.05212 218.2
[M-H]- 648.05562 226.4
[M+NH4]+ 667.09672 225.4
[M+K]+ 688.02606 228.4
[M+H-H2O]+ 632.06016 196.1
[M+HCOO]- 694.06110 234.3
[M+CH3COO]- 708.07675 256.2
[M+Na-2H]- 670.03757 210.7
[M]+ 649.06235 212.7
[M]- 649.06345 212.7
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.