CID 207933

Brn 1371712

Structural Information

Molecular Formula
C8H9F5O3
SMILES
CC12OCC(CO1)(CO2)C(C(F)(F)F)(F)F
InChI
InChI=1S/C8H9F5O3/c1-5-14-2-6(3-15-5,4-16-5)7(9,10)8(11,12)13/h2-4H2,1H3
InChIKey
ZTZBZLHRPLUMJK-UHFFFAOYSA-N
Compound name
1-methyl-4-(1,1,2,2,2-pentafluoroethyl)-2,6,7-trioxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.04718 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05446 150.2
[M+Na]+ 271.03640 157.7
[M-H]- 247.03990 143.3
[M+NH4]+ 266.08100 171.6
[M+K]+ 287.01034 159.3
[M+H-H2O]+ 231.04444 142.6
[M+HCOO]- 293.04538 152.2
[M+CH3COO]- 307.06103 193.6
[M+Na-2H]- 269.02185 165.6
[M]+ 248.04663 148.6
[M]- 248.04773 148.6
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.