CID 3653089

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

Structural Information

Molecular Formula
C15H5F17O4
SMILES
C1=CC=C(C=C1)OC(=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/C15H5F17O4/c16-8(11(20,21)22,7(33)34-6-4-2-1-3-5-6)35-15(31,32)10(19,13(26,27)28)36-14(29,30)9(17,18)12(23,24)25/h1-5H
InChIKey
MLKBOEILAZUIPH-UHFFFAOYSA-N
Compound name
phenyl 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

571.99164 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.99892 165.8
[M+Na]+ 594.98086 173.1
[M-H]- 570.98436 174.7
[M+NH4]+ 590.02546 178.3
[M+K]+ 610.95480 178.7
[M+H-H2O]+ 554.98890 195.4
[M+HCOO]- 616.98984 189.0
[M+CH3COO]- 631.00549 244.2
[M+Na-2H]- 592.96631 165.8
[M]+ 571.99109 165.3
[M]- 571.99219 165.3
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.