CID 139595938

Qapfsme n=5

Structural Information

Molecular Formula
C12H18F11N2O4S
SMILES
C[N+](C)(CCO)CC(CNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C12H18F11N2O4S/c1-25(2,3-4-26)6-7(27)5-24-30(28,29)12(22,23)10(17,18)8(13,14)9(15,16)11(19,20)21/h7,24,26-27H,3-6H2,1-2H3/q+1
InChIKey
LNLUFNCCCASEGP-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-[2-hydroxy-3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

495.08118 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.08846 188.7
[M+Na]+ 518.07040 192.7
[M-H]- 494.07390 196.8
[M+NH4]+ 513.11500 194.4
[M+K]+ 534.04434 195.6
[M+H-H2O]+ 478.07844 172.4
[M+HCOO]- 540.07938 205.4
[M+CH3COO]- 554.09503 228.5
[M+Na-2H]- 516.05585 182.3
[M]+ 495.08063 185.2
[M]- 495.08173 185.2
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.