CID 162396582

Dtxsid101034186

Structural Information

Molecular Formula
C8H2F14O5
SMILES
C(C(C(=O)O)(F)F)(C(OC(C(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8H2F14O5/c9-1(3(10,11)2(23)24)4(12,13)25-5(14,15)6(16,17)26-8(21,22)27-7(18,19)20/h1H,(H,23,24)
InChIKey
RSDMTEBZKUOQKK-UHFFFAOYSA-N
Compound name
4-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,4,4-pentafluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

443.96786 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.97514 152.9
[M+Na]+ 466.95708 158.5
[M-H]- 442.96058 160.4
[M+NH4]+ 462.00168 162.9
[M+K]+ 482.93102 162.7
[M+H-H2O]+ 426.96512 146.0
[M+HCOO]- 488.96606 169.4
[M+CH3COO]- 502.98171 223.5
[M+Na-2H]- 464.94253 151.9
[M]+ 443.96731 150.7
[M]- 443.96841 150.7
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.