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]+ 570.91368 182.8
[M+Na]+ 592.89562 185.7
[M-H]- 568.89912 187.3
[M+NH4]+ 587.94022 192.1
[M+K]+ 608.86956 194.8
[M+H-H2O]+ 552.90366 173.9
[M+HCOO]- 614.90460 195.8
[M+CH3COO]- 628.92025 238.7
[M+Na-2H]- 590.88107 180.7
[M]+ 569.90585 180.6
[M]- 569.90695 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.