CID 207935

31185-67-8

Structural Information

Molecular Formula
C9H9F7O3
SMILES
CC12COC(OC1)(OC2)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H9F7O3/c1-5-2-17-9(18-3-5,19-4-5)7(12,13)6(10,11)8(14,15)16/h2-4H2,1H3
InChIKey
WEIYHBVATQQFOK-UHFFFAOYSA-N
Compound name
1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

298.044 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05128 163.6
[M+Na]+ 321.03322 171.2
[M-H]- 297.03672 154.2
[M+NH4]+ 316.07782 182.7
[M+K]+ 337.00716 172.3
[M+H-H2O]+ 281.04126 154.8
[M+HCOO]- 343.04220 161.7
[M+CH3COO]- 357.05785 202.8
[M+Na-2H]- 319.01867 178.2
[M]+ 298.04345 159.1
[M]- 298.04455 159.1
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.