CID 2775804

3,3-difluoro-3-(heptafluoropropyl)-1,2-propenoxide

Structural Information

Molecular Formula
C6H3F9O
SMILES
C1C(O1)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H3F9O/c7-3(8,2-1-16-2)4(9,10)5(11,12)6(13,14)15/h2H,1H2
InChIKey
QHHCBVYZWRKFLZ-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

306
Patents

262.00403 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.01131 131.0
[M+Na]+ 284.99325 141.3
[M-H]- 260.99675 125.7
[M+NH4]+ 280.03785 141.3
[M+K]+ 300.96719 139.4
[M+H-H2O]+ 245.00129 118.9
[M+HCOO]- 307.00223 139.0
[M+CH3COO]- 321.01788 197.8
[M+Na-2H]- 282.97870 138.3
[M]+ 262.00348 121.5
[M]- 262.00458 121.5
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