CID 162396520

Dtxsid401034159

Structural Information

Molecular Formula
C8H2F14O6
SMILES
C(C(C(=O)O)(F)F)(OC(C(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8H2F14O6/c9-1(3(10,11)2(23)24)25-4(12,13)5(14,15)26-7(19,20)28-8(21,22)27-6(16,17)18/h1H,(H,23,24)
InChIKey
INYLLHFKCABKHI-UHFFFAOYSA-N
Compound name
3-[2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3-trifluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

459.96277 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.97005 154.5
[M+Na]+ 482.95199 159.7
[M-H]- 458.95549 162.5
[M+NH4]+ 477.99659 165.1
[M+K]+ 498.92593 163.7
[M+H-H2O]+ 442.96003 147.7
[M+HCOO]- 504.96097 171.0
[M+CH3COO]- 518.97662 225.3
[M+Na-2H]- 480.93744 153.2
[M]+ 459.96222 152.4
[M]- 459.96332 152.4
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.