CID 139597208

Qapfsme n=4

Structural Information

Molecular Formula
C11H18F9N2O4S
SMILES
C[N+](C)(CCO)CC(CNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C11H18F9N2O4S/c1-22(2,3-4-23)6-7(24)5-21-27(25,26)11(19,20)9(14,15)8(12,13)10(16,17)18/h7,21,23-24H,3-6H2,1-2H3/q+1
InChIKey
TURDKCIJKOTGAN-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-[2-hydroxy-3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

445.08435 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.09163 183.4
[M+Na]+ 468.07357 187.9
[M-H]- 444.07707 189.8
[M+NH4]+ 463.11817 187.7
[M+K]+ 484.04751 188.4
[M+H-H2O]+ 428.08161 168.4
[M+HCOO]- 490.08255 200.3
[M+CH3COO]- 504.09820 219.9
[M+Na-2H]- 466.05902 176.7
[M]+ 445.08380 180.0
[M]- 445.08490 180.0
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.