CID 163198784

Hmcsazudqowrdw-uhfffaoysa-n

Structural Information

Molecular Formula
C11H6F17NO3S
SMILES
C(CNS(=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)C=O
InChI
InChI=1S/C11H6F17NO3S/c12-4(13,6(16,17)8(20,21)10(24,25)26)5(14,15)7(18,19)9(22,23)11(27,28)33(31,32)29-2-1-3-30/h3,29H,1-2H2
InChIKey
HMCSAZUDQOWRDW-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(3-oxopropyl)octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

554.9797 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.98698 174.5
[M+Na]+ 577.96892 179.3
[M-H]- 553.97242 183.1
[M+NH4]+ 573.01352 184.5
[M+K]+ 593.94286 187.7
[M+H-H2O]+ 537.97696 162.2
[M+HCOO]- 599.97790 194.4
[M+CH3COO]- 613.99355 243.1
[M+Na-2H]- 575.95437 172.9
[M]+ 554.97915 174.3
[M]- 554.98025 174.3
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.