CID 139595724

Qapfsmf n=2

Structural Information

Molecular Formula
C11H22F5N2O4S
SMILES
C[N+](C)(CCCN(CCO)S(=O)(=O)C(C(F)(F)F)(F)F)CCO
InChI
InChI=1S/C11H22F5N2O4S/c1-18(2,7-9-20)6-3-4-17(5-8-19)23(21,22)11(15,16)10(12,13)14/h19-20H,3-9H2,1-2H3/q+1
InChIKey
KGHHSGOWWRCKMM-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-[3-[2-hydroxyethyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

373.12204 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12932 168.5
[M+Na]+ 396.11126 172.7
[M-H]- 372.11476 161.8
[M+NH4]+ 391.15586 188.3
[M+K]+ 412.08520 165.4
[M+H-H2O]+ 356.11930 161.6
[M+HCOO]- 418.12024 202.7
[M+CH3COO]- 432.13589 210.2
[M+Na-2H]- 394.09671 175.1
[M]+ 373.12149 164.6
[M]- 373.12259 164.6
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.