CID 139594771

Qapfsmf n=5

Structural Information

Molecular Formula
C14H22F11N2O4S
SMILES
C[N+](C)(CCCN(CCO)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C14H22F11N2O4S/c1-27(2,7-9-29)6-3-4-26(5-8-28)32(30,31)14(24,25)12(19,20)10(15,16)11(17,18)13(21,22)23/h28-29H,3-9H2,1-2H3/q+1
InChIKey
DPRKYPRZEPVBLC-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-[3-[2-hydroxyethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

523.1125 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.11978 198.4
[M+Na]+ 546.10172 202.9
[M-H]- 522.10522 206.2
[M+NH4]+ 541.14632 206.0
[M+K]+ 562.07566 206.5
[M+H-H2O]+ 506.10976 182.8
[M+HCOO]- 568.11070 215.8
[M+CH3COO]- 582.12635 236.2
[M+Na-2H]- 544.08717 191.6
[M]+ 523.11195 195.8
[M]- 523.11305 195.8
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.