CID 139596048

2-(1,1,2,2,3,3,4,4,6,6-decafluorohex-5-enoxy)-1,1,2,2-tetrafluoroethanesulfonic acid

Structural Information

Molecular Formula
C8H2F14O4S
SMILES
C(=C(F)F)C(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H2F14O4S/c9-2(10)1-3(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)
InChIKey
MIEGYRXZBANDQZ-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,6,6-decafluorohex-5-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

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.95232 158.6
[M+Na]+ 482.93426 163.0
[M-H]- 458.93776 164.2
[M+NH4]+ 477.97886 167.3
[M+K]+ 498.90820 168.4
[M+H-H2O]+ 442.94230 163.1
[M+HCOO]- 504.94324 177.6
[M+CH3COO]- 518.95889 223.0
[M+Na-2H]- 480.91971 156.7
[M]+ 459.94449 159.1
[M]- 459.94559 159.1
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.