CID 13434368

3-(heptadecafluorooctyl)-1,2,4-trioxolane

Structural Information

Molecular Formula

C₁₀H₃F₁₇O₃

SMILES

C1OC(OO1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10H3F17O3/c11-3(12,2-28-1-29-30-2)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H,1H2

InChIKey

JZLSJSIYEYSKCH-UHFFFAOYSA-N

Compound name

3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1,2,4-trioxolane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 493.98108 Da
Monoisotopic Mass: 5.8
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]+	494.988356	189.6
[M+Na]+	516.970298	198.1
[M-H]-	492.973804	177.3
[M+NH4]+	512.014903	193.8
[M+K]+	532.944238	198.3
[M+H-H2O]+	476.978340	175.3
[M+HCOO]-	538.979281	181.3
[M+CH3COO]-	552.994931	233.5
[M+Na-2H]-	514.955746	195.7
[M]+	493.98053142	165.4
[M]-	493.98162858	165.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe