CID 139594839

Dhpflsa_i, 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/c9-1-2(10)3(11,12)4(13,14)5(15,16)6(17,18)26-7(19,20)8(21,22)27(23,24)25/h1H,(H,23,24,25)/b2-1+
InChIKey
DYYRANVSNRHCQD-OWOJBTEDSA-N
Compound name
2-[(E)-1,1,2,2,3,3,4,4,5,6-decafluorohex-5-enoxy]-1,1,2,2-tetrafluoroethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
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 176.9
[M+Na]+ 482.93426 176.6
[M+NH4]+ 477.97886 175.9
[M+K]+ 498.90820 175.8
[M-H]- 458.93776 173.1
[M+Na-2H]- 480.91971 175.3
[M]+ 459.94449 175.7
[M]- 459.94559 175.7
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.