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
2
Annotation Hits

0
References

30
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 149.6
[M+Na]+ 344.96157 157.5
[M-H]- 320.96507 137.7
[M+NH4]+ 340.00617 143.5
[M+K]+ 360.93551 157.0
[M+H-H2O]+ 304.96961 140.0
[M+HCOO]- 366.97055 153.7
[M+CH3COO]- 380.98620 198.9
[M+Na-2H]- 342.94702 153.7
[M]+ 321.97180 140.0
[M]- 321.97290 140.0
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