CID 139594930

Pfsmsbtd n=5

Structural Information

Molecular Formula
C14H22F11N2O5S2
SMILES
CN(CCC[N+](C)(C)CCCS(=O)(=O)O)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H21F11N2O5S2/c1-26(6-4-7-27(2,3)8-5-9-33(28,29)30)34(31,32)14(24,25)12(19,20)10(15,16)11(17,18)13(21,22)23/h4-9H2,1-3H3/p+1
InChIKey
FLZXDOGZXYXNOM-UHFFFAOYSA-O
Compound name
dimethyl-[3-[methyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]propyl]-(3-sulfopropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

571.07947 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.08675 172.8
[M+Na]+ 594.06869 174.0
[M+NH4]+ 589.11329 174.7
[M+K]+ 610.04263 175.3
[M-H]- 570.07219 172.5
[M+Na-2H]- 592.05414 171.7
[M]+ 571.07892 173.5
[M]- 571.08002 173.5
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.