CID 15038808

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

Structural Information

Molecular Formula
C9H7F11O3
SMILES
CCCOC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C9H7F11O3/c1-2-3-22-4(21)5(10,7(13,14)15)23-9(19,20)6(11,12)8(16,17)18/h2-3H2,1H3
InChIKey
NVVKOWCWRZULDC-UHFFFAOYSA-N
Compound name
propyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.02194 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.02922 188.8
[M+Na]+ 395.01116 188.6
[M+NH4]+ 390.05576 187.5
[M+K]+ 410.98510 186.8
[M-H]- 371.01466 181.9
[M+Na-2H]- 392.99661 185.6
[M]+ 372.02139 186.5
[M]- 372.02249 186.5
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.