CID 139595432

Qapfsmd n=6

Structural Information

Molecular Formula
C13H18F13N2O3S
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C13H18F13N2O3S/c1-28(2,6-7-29)5-3-4-27-32(30,31)13(25,26)11(20,21)9(16,17)8(14,15)10(18,19)12(22,23)24/h27,29H,3-7H2,1-2H3/q+1
InChIKey
IPCCWNWHJVOPTJ-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-dimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.08307 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.09035 163.9
[M+Na]+ 552.07229 164.5
[M+NH4]+ 547.11689 165.0
[M+K]+ 568.04623 165.1
[M-H]- 528.07579 163.6
[M+Na-2H]- 550.05774 163.2
[M]+ 529.08252 164.2
[M]- 529.08362 164.2
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.