CID 44147267

Heptadecafluoro-n-methylisooctanesulphonamide

Structural Information

Molecular Formula
C9H4F17NO2S
SMILES
CNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H4F17NO2S/c1-27-30(28,29)9(25,26)6(17,18)5(15,16)4(13,14)3(11,12)2(10,7(19,20)21)8(22,23)24/h27H,1H3
InChIKey
ZGKQZNCLVBOAST-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-N-methyl-6-(trifluoromethyl)heptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

512.9691 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.97638 168.3
[M+Na]+ 535.95832 173.4
[M-H]- 511.96182 176.4
[M+NH4]+ 531.00292 177.5
[M+K]+ 551.93226 181.4
[M+H-H2O]+ 495.96636 156.1
[M+HCOO]- 557.96730 188.4
[M+CH3COO]- 571.98295 237.1
[M+Na-2H]- 533.94377 167.5
[M]+ 512.96855 168.3
[M]- 512.96965 168.3
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

No patent data available for this compound.