CID 165362507

Dtxsid501348676

Structural Information

Molecular Formula
C8H4F15NO2S
SMILES
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C8H4F15NO2S/c9-2(10,1-27(24,25)26)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1H2,(H2,24,25,26)
InChIKey
WXBBNQFZIVWCAJ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.97232 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.97960 156.8
[M+Na]+ 485.96154 162.5
[M-H]- 461.96504 163.2
[M+NH4]+ 481.00614 164.2
[M+K]+ 501.93548 185.8
[M+H-H2O]+ 445.96958 166.3
[M+HCOO]- 507.97052 176.9
[M+CH3COO]- 521.98617 229.1
[M+Na-2H]- 483.94699 184.5
[M]+ 462.97177 156.3
[M]- 462.97287 156.3
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.