CID 139597586

Dhpflsa_iii, n=4

Structural Information

Molecular Formula
C8H2F14O4S
SMILES
C(/C(=C(/C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)\F)/F)(F)F
InChI
InChI=1S/C8H2F14O4S/c9-1(3(11)12)2(10)4(13,14)5(15,16)6(17,18)26-7(19,20)8(21,22)27(23,24)25/h3H,(H,23,24,25)/b2-1+
InChIKey
WBGHFTCUTXRJKP-OWOJBTEDSA-N
Compound name
2-[(E)-1,1,2,2,3,3,4,5,6,6-decafluorohex-4-enoxy]-1,1,2,2-tetrafluoroethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

459.94504 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.95232 163.4
[M+Na]+ 482.93426 168.8
[M-H]- 458.93776 169.5
[M+NH4]+ 477.97886 173.6
[M+K]+ 498.90820 174.0
[M+H-H2O]+ 442.94230 159.3
[M+HCOO]- 504.94324 177.4
[M+CH3COO]- 518.95889 223.7
[M+Na-2H]- 480.91971 161.7
[M]+ 459.94449 162.1
[M]- 459.94559 162.1
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.