PubChemLite - 61097-98-1 (C16F30O6)

Structural Information

Molecular Formula

SMILES

C1(C(OC(C(O1)(F)F)(C(F)(F)F)F)(OC(C(C(F)(F)F)(OC2(C(OC(C(O2)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)F)F)(C(F)(F)F)F)F)(C(F)(F)F)F

InChI

InChI=1S/C16F30O6/c17-1(7(23,24)25,49-15(45)5(21,11(35,36)37)47-13(41,42)3(19,51-15)9(29,30)31)2(18,8(26,27)28)50-16(46)6(22,12(38,39)40)48-14(43,44)4(20,52-16)10(32,33)34

InChIKey

AUDGRIDGLXZITI-UHFFFAOYSA-N

Compound name

2,2,3,5,6-pentafluoro-5-[1,1,1,2,3,4,4,4-octafluoro-3-[[2,3,5,5,6-pentafluoro-3,6-bis(trifluoromethyl)-1,4-dioxan-2-yl]oxy]butan-2-yl]oxy-3,6-bis(trifluoromethyl)-1,4-dioxane

Related CIDs

2D Structure

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]+	858.92888	217.4
[M+Na]+	880.91082	225.3
[M-H]-	856.91432	230.7
[M+NH4]+	875.95542	231.8
[M+K]+	896.88476	234.1
[M+H-H2O]+	840.91886	239.3
[M+HCOO]-	902.91980	242.9
[M+CH3COO]-	916.93545	271.3
[M+Na-2H]-	878.89627	256.5
[M]+	857.92105	212.2
[M]-	857.92215	212.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

858.92888

217.4

[M+Na]+

880.91082

225.3

[M-H]-

856.91432

230.7

[M+NH4]+

875.95542

231.8

[M+K]+

896.88476

234.1

[M+H-H2O]+

840.91886

239.3

[M+HCOO]-

902.91980

242.9

[M+CH3COO]-

916.93545

271.3

[M+Na-2H]-

878.89627

256.5

[M]+

857.92105

212.2

[M]-

857.92215

212.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

61097-98-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe