CID 139596436

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

Structural Information

Molecular Formula
C8HF15O3S
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C8HF15O3S/c9-1(2(10)4(13,14)15)3(11,12)5(16,17)6(18,19)7(20,21)8(22,23)27(24,25)26/h(H,24,25,26)/b2-1+
InChIKey
OMZKAGKELPONGJ-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,5,6,7,8,8,8-pentadecafluorooct-6-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.94067 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.94795 170.9
[M+Na]+ 484.92989 170.7
[M+NH4]+ 479.97449 170.2
[M+K]+ 500.90383 170.4
[M-H]- 460.93339 168.0
[M+Na-2H]- 482.91534 170.0
[M]+ 461.94012 170.0
[M]- 461.94122 170.0
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.