CID 139598151

Qapfsmf n=8

Structural Information

Molecular Formula
C17H22F17N2O4S
SMILES
C[N+](C)(CCCN(CCO)S(=O)(=O)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)CCO
InChI
InChI=1S/C17H22F17N2O4S/c1-36(2,7-9-38)6-3-4-35(5-8-37)41(39,40)17(33,34)15(28,29)13(24,25)11(20,21)10(18,19)12(22,23)14(26,27)16(30,31)32/h37-38H,3-9H2,1-2H3/q+1
InChIKey
ZCNOOAHITXLTCG-UHFFFAOYSA-N
Compound name
3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

673.1029 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 674.11018 217.7
[M+Na]+ 696.09212 220.3
[M-H]- 672.09562 229.7
[M+NH4]+ 691.13672 228.4
[M+K]+ 712.06606 230.2
[M+H-H2O]+ 656.10016 199.2
[M+HCOO]- 718.10110 233.8
[M+CH3COO]- 732.11675 258.0
[M+Na-2H]- 694.07757 211.8
[M]+ 673.10235 215.2
[M]- 673.10345 215.2
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.