CID 138395161

H-upfas

Structural Information

Molecular Formula
C5H2F8O3S
SMILES
C(/C(=C(/C(F)(F)F)\F)/F)(C(F)(F)S(=O)(=O)O)F
InChI
InChI=1S/C5H2F8O3S/c6-1(2(7)4(9,10)11)3(8)5(12,13)17(14,15)16/h3H,(H,14,15,16)/b2-1+
InChIKey
FVTWEZSMWJNXDP-OWOJBTEDSA-N
Compound name
(E)-1,1,2,3,4,5,5,5-octafluoropent-3-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.9597 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.96698 181.0
[M+Na]+ 316.94892 181.2
[M+NH4]+ 311.99352 180.2
[M+K]+ 332.92286 178.9
[M-H]- 292.95242 171.2
[M+Na-2H]- 314.93437 176.8
[M]+ 293.95915 177.9
[M]- 293.96025 177.9
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.