CID 2775819

81190-28-5

Structural Information

Molecular Formula
C7H5F9O
SMILES
C1C(O1)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H5F9O/c8-4(9,1-3-2-17-3)5(10,11)6(12,13)7(14,15)16/h3H,1-2H2
InChIKey
WUKHWLIEBSRTRH-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

472
Patents

276.01965 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02693 179.3
[M+Na]+ 299.00887 179.4
[M+NH4]+ 294.05347 178.9
[M+K]+ 314.98281 178.7
[M-H]- 275.01237 174.6
[M+Na-2H]- 296.99432 177.5
[M]+ 276.01910 177.9
[M]- 276.02020 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe