CID 2760318

Perfluoro-3,6-dioxaoctane-1,8-dioic acid

Structural Information

Molecular Formula
C6H2F8O6
SMILES
C(=O)(C(OC(C(OC(C(=O)O)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C6H2F8O6/c7-3(8,1(15)16)19-5(11,12)6(13,14)20-4(9,10)2(17)18/h(H,15,16)(H,17,18)
InChIKey
PXMYQUXWTLQKLL-UHFFFAOYSA-N
Compound name
2-[2-[carboxy(difluoro)methoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

321.97235 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.97963 183.5
[M+Na]+ 344.96157 183.0
[M+NH4]+ 340.00617 181.5
[M+K]+ 360.93551 182.6
[M-H]- 320.96507 172.6
[M+Na-2H]- 342.94702 178.9
[M]+ 321.97180 179.7
[M]- 321.97290 179.7
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

patents stripe