CID 22420417

51502-43-3

Structural Information

Molecular Formula
C7H3F11O3
SMILES
COC(=O)C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F11O3/c1-20-2(19)3(8,9)7(17,18)21-4(10,5(11,12)13)6(14,15)16/h1H3
InChIKey
ZIBMBDGKVCYGHR-UHFFFAOYSA-N
Compound name
methyl 2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

343.99066 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.99794 159.2
[M+Na]+ 366.97988 168.6
[M-H]- 342.98338 147.1
[M+NH4]+ 362.02448 171.8
[M+K]+ 382.95382 167.3
[M+H-H2O]+ 326.98792 147.3
[M+HCOO]- 388.98886 163.2
[M+CH3COO]- 403.00451 208.4
[M+Na-2H]- 364.96533 163.1
[M]+ 343.99011 145.3
[M]- 343.99121 145.3
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.