CID 139595660

Qapfsmf n=4

Structural Information

Molecular Formula
C13H22F9N2O4S
SMILES
C[N+](C)(CCCN(CCO)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C13H22F9N2O4S/c1-24(2,7-9-26)6-3-4-23(5-8-25)29(27,28)13(21,22)11(16,17)10(14,15)12(18,19)20/h25-26H,3-9H2,1-2H3/q+1
InChIKey
JWBCFCBYPBNIEC-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-[3-[2-hydroxyethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

473.11566 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.12294 193.0
[M+Na]+ 496.10488 198.1
[M-H]- 472.10838 199.1
[M+NH4]+ 491.14948 199.3
[M+K]+ 512.07882 199.3
[M+H-H2O]+ 456.11292 178.8
[M+HCOO]- 518.11386 210.6
[M+CH3COO]- 532.12951 227.8
[M+Na-2H]- 494.09033 186.0
[M]+ 473.11511 190.6
[M]- 473.11621 190.6
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.