CID 2769358

169289-58-1

Structural Information

Molecular Formula
C8H3F13O5
SMILES
COC(=O)C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H3F13O5/c1-23-2(22)3(9,10)24-4(11,12)5(13,14)25-6(15,16)7(17,18)26-8(19,20)21/h1H3
InChIKey
USFGKFMVGHXGNG-UHFFFAOYSA-N
Compound name
methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

425.9773 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.98458 180.6
[M+Na]+ 448.96652 180.3
[M+NH4]+ 444.01112 179.4
[M+K]+ 464.94046 179.4
[M-H]- 424.97002 175.7
[M+Na-2H]- 446.95197 178.5
[M]+ 425.97675 179.0
[M]- 425.97785 179.0
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