CID 94650

Methyl tetrafluoro-3-(trifluoro-2-(tetrafluoro-1-(fluoroformyl)ethoxy)-1-(trifluoromethyl)ethoxy)propionate

Structural Information

Molecular Formula
C10H3F15O5
SMILES
COC(=O)C(C(OC(C(OC(C(=O)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F
InChI
InChI=1S/C10H3F15O5/c1-28-3(27)4(12,13)9(22,23)30-6(15,8(19,20)21)10(24,25)29-5(14,2(11)26)7(16,17)18/h1H3
InChIKey
JOMJXRTUQWIHQD-UHFFFAOYSA-N
Compound name
methyl 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3-pentafluoro-3-oxopropan-2-yl)oxypropan-2-yl]oxypropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
Patents

487.9741 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.98138 163.3
[M+Na]+ 510.96332 169.8
[M-H]- 486.96682 173.4
[M+NH4]+ 506.00792 176.8
[M+K]+ 526.93726 175.7
[M+H-H2O]+ 470.97136 156.0
[M+HCOO]- 532.97230 181.7
[M+CH3COO]- 546.98795 232.0
[M+Na-2H]- 508.94877 162.9
[M]+ 487.97355 162.8
[M]- 487.97465 162.9
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