CID 110553

68555-72-6

Structural Information

Molecular Formula
C9H10F11NO3S
SMILES
CCN(CCO)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H10F11NO3S/c1-2-21(3-4-22)25(23,24)9(19,20)7(14,15)5(10,11)6(12,13)8(16,17)18/h22H,2-4H2,1H3
InChIKey
GBPAQIZWHVCENQ-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)pentane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

421.02057 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.02785 192.4
[M+Na]+ 444.00979 191.6
[M+NH4]+ 439.05439 190.9
[M+K]+ 459.98373 189.7
[M-H]- 420.01329 185.5
[M+Na-2H]- 441.99524 188.9
[M]+ 421.02002 190.1
[M]- 421.02112 190.1
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

patents stripe