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]+ 294.96698 143.2
[M+Na]+ 316.94892 151.3
[M-H]- 292.95242 132.4
[M+NH4]+ 311.99352 157.4
[M+K]+ 332.92286 148.5
[M+H-H2O]+ 276.95696 132.8
[M+HCOO]- 338.95790 145.8
[M+CH3COO]- 352.97355 194.0
[M+Na-2H]- 314.93437 142.4
[M]+ 293.95915 132.4
[M]- 293.96025 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.