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]+ 555.986976 174.5
[M+Na]+ 577.968918 179.3
[M-H]- 553.972424 183.1
[M+NH4]+ 573.013523 184.5
[M+K]+ 593.942858 187.7
[M+H-H2O]+ 537.976960 162.2
[M+HCOO]- 599.977901 194.4
[M+CH3COO]- 613.993551 243.1
[M+Na-2H]- 575.954366 172.9
[M]+ 554.97915142 174.3
[M]- 554.98024858 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.