CID 71673056

2-methoxyethyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate

Structural Information

Molecular Formula
C9H7F11O4
SMILES
COCCOC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C9H7F11O4/c1-22-2-3-23-4(21)5(10,7(13,14)15)24-9(19,20)6(11,12)8(16,17)18/h2-3H2,1H3
InChIKey
QADFBNKJQJPIGV-UHFFFAOYSA-N
Compound name
2-methoxyethyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

388.01688 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.02416 171.3
[M+Na]+ 411.00610 179.8
[M-H]- 387.00960 155.9
[M+NH4]+ 406.05070 160.8
[M+K]+ 426.98004 178.6
[M+H-H2O]+ 371.01414 158.8
[M+HCOO]- 433.01508 172.3
[M+CH3COO]- 447.03073 215.8
[M+Na-2H]- 408.99155 174.5
[M]+ 388.01633 159.5
[M]- 388.01743 159.5
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.