CID 11022752

Methyl 2,3,3,3-tetrafluoro-2-(pentafluoroethoxy)propanoate

Structural Information

Molecular Formula
C6H3F9O3
SMILES
COC(=O)C(C(F)(F)F)(OC(C(F)(F)F)(F)F)F
InChI
InChI=1S/C6H3F9O3/c1-17-2(16)3(7,4(8,9)10)18-6(14,15)5(11,12)13/h1H3
InChIKey
SUJXGMJJNALKPI-UHFFFAOYSA-N
Compound name
methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

293.99384 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.00112 148.8
[M+Na]+ 316.98306 158.2
[M-H]- 292.98656 138.7
[M+NH4]+ 312.02766 163.7
[M+K]+ 332.95700 157.4
[M+H-H2O]+ 276.99110 138.2
[M+HCOO]- 338.99204 156.7
[M+CH3COO]- 353.00769 199.0
[M+Na-2H]- 314.96851 153.2
[M]+ 293.99329 138.2
[M]- 293.99439 138.2
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