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
2
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]+ 294.966976 143.2
[M+Na]+ 316.948918 151.3
[M-H]- 292.952424 132.4
[M+NH4]+ 311.993523 157.4
[M+K]+ 332.922858 148.5
[M+H-H2O]+ 276.956960 132.8
[M+HCOO]- 338.957901 145.8
[M+CH3COO]- 352.973551 194.0
[M+Na-2H]- 314.934366 142.4
[M]+ 293.95915142 132.4
[M]- 293.96024858 132.4
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.