CID 162396532

Dtxsid101034229

Structural Information

Molecular Formula
C8H3F13O5
SMILES
C(C(=O)O)OC(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H3F13O5/c9-3(10,5(13,14)26-8(19,20)21)4(11,12)25-7(17,18)6(15,16)24-1-2(22)23/h1H2,(H,22,23)
InChIKey
JLMOIMFNFKVBGG-UHFFFAOYSA-N
Compound name
2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

425.9773 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.98458 149.5
[M+Na]+ 448.96652 154.9
[M-H]- 424.97002 155.8
[M+NH4]+ 444.01112 158.2
[M+K]+ 464.94046 158.2
[M+H-H2O]+ 408.97456 142.2
[M+HCOO]- 470.97550 168.6
[M+CH3COO]- 484.99115 220.1
[M+Na-2H]- 446.95197 148.1
[M]+ 425.97675 148.3
[M]- 425.97785 148.3
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.