CID 162396502

Dtxsid001034157

Structural Information

Molecular Formula
C6H2F10O4
SMILES
C(C(C(=O)O)(F)F)(OC(C(OC(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C6H2F10O4/c7-1(3(8,9)2(17)18)19-4(10,11)5(12,13)20-6(14,15)16/h1H,(H,17,18)
InChIKey
GQDGAMQXGGEOHJ-UHFFFAOYSA-N
Compound name
2,2,3-trifluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

327.97934 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.98662 153.0
[M+Na]+ 350.96856 161.5
[M-H]- 326.97206 140.2
[M+NH4]+ 346.01316 165.3
[M+K]+ 366.94250 160.5
[M+H-H2O]+ 310.97660 141.6
[M+HCOO]- 372.97754 157.7
[M+CH3COO]- 386.99319 203.4
[M+Na-2H]- 348.95401 155.6
[M]+ 327.97879 140.0
[M]- 327.97989 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

No patent data available for this compound.