CID 139597598

(e)-5h-perfluorooct-6-ene-1-sulfonic acid

Structural Information

Molecular Formula
C8H2F14O3S
SMILES
C(/C(=C(/C(F)(F)F)\F)/F)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8H2F14O3S/c9-1(3(11)5(14,15)16)2(10)4(12,13)6(17,18)7(19,20)8(21,22)26(23,24)25/h2H,(H,23,24,25)/b3-1+
InChIKey
WEEMQFRPHLWROF-HNQUOIGGSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,6,7,8,8,8-tetradecafluorooct-6-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

443.9501 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.95738 170.8
[M+Na]+ 466.93932 168.4
[M-H]- 442.94282 168.1
[M+NH4]+ 461.98392 172.0
[M+K]+ 482.91326 174.8
[M+H-H2O]+ 426.94736 156.6
[M+HCOO]- 488.94830 176.5
[M+CH3COO]- 502.96395 221.4
[M+Na-2H]- 464.92477 169.8
[M]+ 443.94955 161.0
[M]- 443.95065 161.0
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.