CID 139597279

Qapfsmi n=4

Structural Information

Molecular Formula
C14H24F9N2O6S2
SMILES
C[N+](C)(CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C14H23F9N2O6S2/c1-25(2,8-9-26)7-3-5-24(6-4-10-32(27,28)29)33(30,31)14(22,23)12(17,18)11(15,16)13(19,20)21/h26H,3-10H2,1-2H3/p+1
InChIKey
UFLUYVACICEHCZ-UHFFFAOYSA-O
Compound name
2-hydroxyethyl-dimethyl-[3-[1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(3-sulfopropyl)amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

551.0932 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.10048 199.3
[M+Na]+ 574.08242 201.9
[M-H]- 550.08592 206.4
[M+NH4]+ 569.12702 207.7
[M+K]+ 590.05636 205.4
[M+H-H2O]+ 534.09046 184.0
[M+HCOO]- 596.09140 216.7
[M+CH3COO]- 610.10705 236.0
[M+Na-2H]- 572.06787 191.8
[M]+ 551.09265 200.0
[M]- 551.09375 200.0
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.