CID 101895126

Dtxsid801352230

Structural Information

Molecular Formula
C10H4F17NO3S
SMILES
C(C=O)NS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H4F17NO3S/c11-3(12,5(15,16)7(19,20)9(23,24)25)4(13,14)6(17,18)8(21,22)10(26,27)32(30,31)28-1-2-29/h2,28H,1H2
InChIKey
DTKWOQZHQQMDSO-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-oxoethyl)octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

540.96405 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.971326 170.8
[M+Na]+ 563.953268 175.7
[M-H]- 539.956774 179.7
[M+NH4]+ 558.997873 180.8
[M+K]+ 579.927208 183.8
[M+H-H2O]+ 523.961310 158.6
[M+HCOO]- 585.962251 191.1
[M+CH3COO]- 599.977901 240.7
[M+Na-2H]- 561.938716 169.7
[M]+ 540.96350142 170.7
[M]- 540.96459858 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.