CID 173195

68958-60-1

Structural Information

Molecular Formula
C14H16F15NO4S
SMILES
CCN(CCOCCOC)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H16F15NO4S/c1-3-30(4-5-34-7-6-33-2)35(31,32)14(28,29)12(23,24)10(19,20)8(15,16)9(17,18)11(21,22)13(25,26)27/h3-7H2,1-2H3
InChIKey
RVVJQACTZPRFBO-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[2-(2-methoxyethoxy)ethyl]heptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

579.056 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.06328 189.7
[M+Na]+ 602.04522 194.9
[M-H]- 578.04872 197.4
[M+NH4]+ 597.08982 202.2
[M+K]+ 618.01916 203.3
[M+H-H2O]+ 562.05326 179.5
[M+HCOO]- 624.05420 207.3
[M+CH3COO]- 638.06985 250.8
[M+Na-2H]- 600.03067 186.2
[M]+ 579.05545 190.7
[M]- 579.05655 190.7
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