CID 45933626

220369-95-9

Structural Information

Molecular Formula
C9H3F15O3
SMILES
COC(=O)C(C(F)(F)F)(OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C9H3F15O3/c1-26-2(25)3(10,7(17,18)19)27-9(23,24)6(15,16)4(11,12)5(13,14)8(20,21)22/h1H3
InChIKey
WROKQQSASYUOAS-UHFFFAOYSA-N
Compound name
methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

443.98425 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.99153 156.2
[M+Na]+ 466.97347 162.9
[M-H]- 442.97697 163.5
[M+NH4]+ 462.01807 166.8
[M+K]+ 482.94741 168.3
[M+H-H2O]+ 426.98151 148.3
[M+HCOO]- 488.98245 176.6
[M+CH3COO]- 502.99810 226.3
[M+Na-2H]- 464.95892 156.2
[M]+ 443.98370 155.8
[M]- 443.98480 155.8
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

patents stripe