CID 110958

7309-84-4

Structural Information

Molecular Formula

C₆F₁₀O₃

SMILES

C1(=O)C(OC(C(O1)(C(F)(F)F)F)(F)F)(C(F)(F)F)F

InChI

InChI=1S/C6F10O3/c7-2(4(9,10)11)1(17)18-3(8,5(12,13)14)6(15,16)19-2

InChIKey

CWRPQPNYDDMAMA-UHFFFAOYSA-N

Compound name

3,5,5,6-tetrafluoro-3,6-bis(trifluoromethyl)-1,4-dioxan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 309.96878 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	310.97606	184.1
[M+Na]+	332.95800	185.3
[M+NH4]+	328.00260	184.7
[M+K]+	348.93194	181.3
[M-H]-	308.96150	178.1
[M+Na-2H]-	330.94345	182.5
[M]+	309.96823	182.4
[M]-	309.96933	182.4

Literature stripe

literature stripe

Patent stripe

patents stripe