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]+ 299.051276 163.6
[M+Na]+ 321.033218 171.2
[M-H]- 297.036724 154.2
[M+NH4]+ 316.077823 182.7
[M+K]+ 337.007158 172.3
[M+H-H2O]+ 281.041260 154.8
[M+HCOO]- 343.042201 161.7
[M+CH3COO]- 357.057851 202.8
[M+Na-2H]- 319.018666 178.2
[M]+ 298.04345142 159.1
[M]- 298.04454858 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.