CID 44145266

Heptadecafluoroisooctanesulphonamide

Structural Information

Molecular Formula
C8H2F17NO2S
SMILES
C(C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C8H2F17NO2S/c9-1(6(18,19)20,7(21,22)23)2(10,11)3(12,13)4(14,15)5(16,17)8(24,25)29(26,27)28/h(H2,26,27,28)
InChIKey
LIDOVKZSCIIYGP-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-6-(trifluoromethyl)heptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.9535 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.96078 160.2
[M+Na]+ 521.94272 165.4
[M-H]- 497.94622 168.4
[M+NH4]+ 516.98732 168.7
[M+K]+ 537.91666 172.8
[M+H-H2O]+ 481.95076 147.9
[M+HCOO]- 543.95170 180.2
[M+CH3COO]- 557.96735 234.1
[M+Na-2H]- 519.92817 160.0
[M]+ 498.95295 159.6
[M]- 498.95405 159.6
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.