CID 15938554

Butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate

Structural Information

Molecular Formula
C13H9F17O4
SMILES
CCCCOC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C13H9F17O4/c1-2-3-4-32-5(31)6(14,9(18,19)20)33-13(29,30)8(17,11(24,25)26)34-12(27,28)7(15,16)10(21,22)23/h2-4H2,1H3
InChIKey
KFLCAJIXLFSISY-UHFFFAOYSA-N
Compound name
butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

552.02295 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.03023 176.2
[M+Na]+ 575.01217 181.3
[M-H]- 551.01567 184.6
[M+NH4]+ 570.05677 188.2
[M+K]+ 590.98611 189.7
[M+H-H2O]+ 535.02021 166.6
[M+HCOO]- 597.02115 194.9
[M+CH3COO]- 611.03680 242.9
[M+Na-2H]- 572.99762 174.6
[M]+ 552.02240 175.3
[M]- 552.02350 175.3
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.