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
3
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 151.2
[M+Na]+ 448.96652 157.6
[M-H]- 424.97002 158.0
[M+NH4]+ 444.01112 162.0
[M+K]+ 464.94046 160.7
[M+H-H2O]+ 408.97456 145.0
[M+HCOO]- 470.97550 171.9
[M+CH3COO]- 484.99115 221.8
[M+Na-2H]- 446.95197 150.5
[M]+ 425.97675 151.1
[M]- 425.97785 151.1
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