CID 176514726

Sf5-u-pfos

Structural Information

Molecular Formula
C8HF19O3S2
SMILES
C(=C(\F)/S(=O)(=O)O)(\C(C(C(C(C(C(F)(F)S(F)(F)(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C8HF19O3S2/c9-1(2(10)31(28,29)30)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)32(23,24,25,26)27/h(H,28,29,30)/b2-1-
InChIKey
BGUKAKSVULHCFY-UPHRSURJSA-N
Compound name
(Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-8-(pentafluoro-lambda6-sulfanyl)oct-1-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.9064 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.913676 182.8
[M+Na]+ 592.895618 185.7
[M-H]- 568.899124 187.3
[M+NH4]+ 587.940223 192.1
[M+K]+ 608.869558 194.8
[M+H-H2O]+ 552.903660 173.9
[M+HCOO]- 614.904601 195.8
[M+CH3COO]- 628.920251 238.7
[M+Na-2H]- 590.881066 180.7
[M]+ 569.90585142 180.6
[M]- 569.90694858 180.6
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.