CID 110560

68555-79-3

Structural Information

Molecular Formula
C11H12F11NO4S
SMILES
CCN(CC(=O)OCC)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H12F11NO4S/c1-3-23(5-6(24)27-4-2)28(25,26)11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20/h3-5H2,1-2H3
InChIKey
YEORWLLYWQFDEW-UHFFFAOYSA-N
Compound name
ethyl 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

463.03113 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.03841 174.7
[M+Na]+ 486.02035 182.4
[M-H]- 462.02385 181.8
[M+NH4]+ 481.06495 186.9
[M+K]+ 501.99429 186.0
[M+H-H2O]+ 446.02839 168.0
[M+HCOO]- 508.02933 192.0
[M+CH3COO]- 522.04498 231.6
[M+Na-2H]- 484.00580 172.1
[M]+ 463.03058 175.9
[M]- 463.03168 175.9
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.