CID 139597465

Pfsmsbte n=5

Structural Information

Molecular Formula
C15H24F11N2O7S2
SMILES
C[N+](C)(CCCN(CCO)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C15H23F11N2O7S2/c1-28(2,8-10(30)9-36(31,32)33)6-3-4-27(5-7-29)37(34,35)15(25,26)13(20,21)11(16,17)12(18,19)14(22,23)24/h10,29-30H,3-9H2,1-2H3/p+1
InChIKey
VJTAHORTNLQDOE-UHFFFAOYSA-O
Compound name
3-[2-hydroxyethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]propyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

617.0849 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.09218 205.0
[M+Na]+ 640.07412 206.0
[M-H]- 616.07762 215.1
[M+NH4]+ 635.11872 214.5
[M+K]+ 656.04806 212.3
[M+H-H2O]+ 600.08216 188.0
[M+HCOO]- 662.08310 218.3
[M+CH3COO]- 676.09875 243.9
[M+Na-2H]- 638.05957 197.3
[M]+ 617.08435 205.0
[M]- 617.08545 205.0
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.