CID 2775819

2,2,3,3,4,4,5,5,5-nonafluoropentyloxirane

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
3
Annotation Hits

0
References

498
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 135.5
[M+Na]+ 299.00887 145.3
[M-H]- 275.01237 129.9
[M+NH4]+ 294.05347 145.2
[M+K]+ 314.98281 143.2
[M+H-H2O]+ 259.01691 123.2
[M+HCOO]- 321.01785 143.2
[M+CH3COO]- 335.03350 200.6
[M+Na-2H]- 296.99432 142.3
[M]+ 276.01910 126.3
[M]- 276.02020 126.3
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