CID 139595883

Qapfsmd n=5

Structural Information

Molecular Formula
C12H18F11N2O3S
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C12H18F11N2O3S/c1-25(2,6-7-26)5-3-4-24-29(27,28)12(22,23)10(17,18)8(13,14)9(15,16)11(19,20)21/h24,26H,3-7H2,1-2H3/q+1
InChIKey
LEPYLBONWYXBOI-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-dimethyl-[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

479.08624 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.09352 189.7
[M+Na]+ 502.07546 194.7
[M-H]- 478.07896 196.2
[M+NH4]+ 497.12006 195.4
[M+K]+ 518.04940 197.1
[M+H-H2O]+ 462.08350 173.8
[M+HCOO]- 524.08444 210.2
[M+CH3COO]- 538.10009 228.5
[M+Na-2H]- 500.06091 183.6
[M]+ 479.08569 187.3
[M]- 479.08679 187.3
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.