CID 94649

Propanoic acid, 2,2,3,3-tetrafluoro-3-[1,2,2,2-tetrafluoro-1-(fluorocarbonyl)ethoxy]-, methyl ester

Structural Information

Molecular Formula
C7H3F9O4
SMILES
COC(=O)C(C(OC(C(=O)F)(C(F)(F)F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F9O4/c1-19-3(18)4(9,10)7(15,16)20-5(11,2(8)17)6(12,13)14/h1H3
InChIKey
YZXATMRKZPAQSK-UHFFFAOYSA-N
Compound name
methyl 2,2,3,3-tetrafluoro-3-(1,1,1,2,3-pentafluoro-3-oxopropan-2-yl)oxypropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

321.98877 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.99605 152.9
[M+Na]+ 344.97799 161.8
[M-H]- 320.98149 142.6
[M+NH4]+ 340.02259 166.3
[M+K]+ 360.95193 161.1
[M+H-H2O]+ 304.98603 142.2
[M+HCOO]- 366.98697 160.0
[M+CH3COO]- 381.00262 204.2
[M+Na-2H]- 342.96344 156.1
[M]+ 321.98822 142.9
[M]- 321.98932 142.9
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