CID 110969

4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride

Structural Information

Molecular Formula
C6F8O4
SMILES
C1(=O)C(OC(O1)(C(=O)F)C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C6F8O4/c7-1(15)4(6(12,13)14)17-2(16)3(8,18-4)5(9,10)11
InChIKey
NVLMRLQANVCTOG-UHFFFAOYSA-N
Compound name
4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

49
Patents

287.9669 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.97418 140.5
[M+Na]+ 310.95612 152.2
[M-H]- 286.95962 136.4
[M+NH4]+ 306.00072 158.9
[M+K]+ 326.93006 152.8
[M+H-H2O]+ 270.96416 133.0
[M+HCOO]- 332.96510 150.7
[M+CH3COO]- 346.98075 194.7
[M+Na-2H]- 308.94157 146.6
[M]+ 287.96635 132.3
[M]- 287.96745 132.3
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