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

270
Patents

262.00403 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.011306 131.0
[M+Na]+ 284.993248 141.3
[M-H]- 260.996754 125.7
[M+NH4]+ 280.037853 141.3
[M+K]+ 300.967188 139.4
[M+H-H2O]+ 245.001290 118.9
[M+HCOO]- 307.002231 139.0
[M+CH3COO]- 321.017881 197.8
[M+Na-2H]- 282.978696 138.3
[M]+ 262.00348142 121.5
[M]- 262.00457858 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