CID 139596213

Qapfsmd n=4

Structural Information

Molecular Formula
C11H18F9N2O3S
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C11H18F9N2O3S/c1-22(2,6-7-23)5-3-4-21-26(24,25)11(19,20)9(14,15)8(12,13)10(16,17)18/h21,23H,3-7H2,1-2H3/q+1
InChIKey
NGEDIHQFESSIKU-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-dimethyl-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.08945 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.09673 177.6
[M+Na]+ 452.07867 179.6
[M+NH4]+ 447.12327 180.7
[M+K]+ 468.05261 181.7
[M-H]- 428.08217 184.4
[M+Na-2H]- 450.06412 189.1
[M]+ 429.08890 178.4
[M]- 429.09000 178.4
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.