CID 85800696

384828-82-4

Structural Information

Molecular Formula
C9H9F9O2
SMILES
C1C(O1)COCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H9F9O2/c10-6(11,1-2-19-3-5-4-20-5)7(12,13)8(14,15)9(16,17)18/h5H,1-4H2
InChIKey
CMVRDQOLJDTNPX-UHFFFAOYSA-N
Compound name
2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.04587 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05315 183.9
[M+Na]+ 343.03509 183.6
[M+NH4]+ 338.07969 183.1
[M+K]+ 359.00903 182.9
[M-H]- 319.03859 178.9
[M+Na-2H]- 341.02054 181.7
[M]+ 320.04532 182.4
[M]- 320.04642 182.4
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.