CID 139594820

Qapfsmk n=3

Structural Information

Molecular Formula
C15H28F7N2O8S2
SMILES
C[N+](C)(CCC(CO)N(CCCS(=O)(=O)O)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)CC(CO)O
InChI
InChI=1S/C15H27F7N2O8S2/c1-24(2,8-12(27)10-26)6-4-11(9-25)23(5-3-7-33(28,29)30)34(31,32)15(21,22)13(16,17)14(18,19)20/h11-12,25-27H,3-10H2,1-2H3/p+1
InChIKey
DVHYUBJUFWBZJS-UHFFFAOYSA-O
Compound name
2,3-dihydroxypropyl-[3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(3-sulfopropyl)amino]-4-hydroxybutyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

561.11755 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.12483 195.3
[M+Na]+ 584.10677 198.1
[M+NH4]+ 579.15137 199.9
[M+K]+ 600.08071 201.6
[M-H]- 560.11027 194.1
[M+Na-2H]- 582.09222 192.5
[M]+ 561.11700 196.7
[M]- 561.11810 196.7
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.