CID 57645377

4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolan-2-one

Structural Information

Molecular Formula
C8H5F9O3
SMILES
C1C(OC(=O)O1)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F9O3/c9-5(10,1-3-2-19-4(18)20-3)6(11,12)7(13,14)8(15,16)17/h3H,1-2H2
InChIKey
LXTWHOIAODISEK-UHFFFAOYSA-N
Compound name
4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

320.0095 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.01678 155.1
[M+Na]+ 342.99872 163.9
[M-H]- 319.00222 148.9
[M+NH4]+ 338.04332 168.0
[M+K]+ 358.97266 163.8
[M+H-H2O]+ 303.00676 144.8
[M+HCOO]- 365.00770 161.0
[M+CH3COO]- 379.02335 202.9
[M+Na-2H]- 340.98417 160.1
[M]+ 320.00895 143.5
[M]- 320.01005 143.5
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