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
2
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 168.6
[M+Na]+ 395.01116 177.3
[M-H]- 371.01466 156.2
[M+NH4]+ 390.05576 158.9
[M+K]+ 410.98510 175.5
[M+H-H2O]+ 355.01920 156.3
[M+HCOO]- 417.02014 171.0
[M+CH3COO]- 431.03579 214.0
[M+Na-2H]- 392.99661 171.5
[M]+ 372.02139 155.4
[M]- 372.02249 155.4
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.