CID 139596615

Qapfsmf n=3

Structural Information

Molecular Formula
C12H22F7N2O4S
SMILES
C[N+](C)(CCCN(CCO)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C12H22F7N2O4S/c1-21(2,7-9-23)6-3-4-20(5-8-22)26(24,25)12(18,19)10(13,14)11(15,16)17/h22-23H,3-9H2,1-2H3/q+1
InChIKey
PLIUODCUGQMJPC-UHFFFAOYSA-N
Compound name
3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.11884 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.12612 187.8
[M+Na]+ 446.10806 190.8
[M+NH4]+ 441.15266 192.2
[M+K]+ 462.08200 194.0
[M-H]- 422.11156 180.9
[M+Na-2H]- 444.09351 186.8
[M]+ 423.11829 188.8
[M]- 423.11939 188.8
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.