CID 139595815

Dpflsa_i n=5

Structural Information

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

2D Structure

compound 2d structure
2
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]+ 462.947946 161.9
[M+Na]+ 484.929888 167.1
[M-H]- 460.933394 168.3
[M+NH4]+ 479.974493 171.3
[M+K]+ 500.903828 173.3
[M+H-H2O]+ 444.937930 161.0
[M+HCOO]- 506.938871 178.6
[M+CH3COO]- 520.954521 224.0
[M+Na-2H]- 482.915336 176.3
[M]+ 461.94012142 161.4
[M]- 461.94121858 161.4
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.