37486-69-4 (C17HF35O5)

Structural Information

Molecular Formula

SMILES

C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F

InChI

InChI=1S/C17HF35O5/c18-1(2(19,20)21)53-14(45,46)4(24,9(31,32)33)55-16(49,50)6(26,11(37,38)39)57-17(51,52)7(27,12(40,41)42)56-15(47,48)5(25,10(34,35)36)54-13(43,44)3(22,23)8(28,29)30/h1H

InChIKey

MEXQRXXROOSHGK-UHFFFAOYSA-N

Compound name

1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane

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]+	950.933776	227.7
[M+Na]+	972.915718	228.9
[M-H]-	948.919224	241.5
[M+NH4]+	967.960323	241.3
[M+K]+	988.889658	244.3
[M+H-H2O]+	932.923760	215.9
[M+HCOO]-	994.924701	240.8
[M+CH3COO]-	1008.940351	275.1
[M+Na-2H]-	970.901166	230.8
[M]+	949.92595142	224.3
[M]-	949.92704858	224.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

950.933776

227.7

[M+Na]+

972.915718

228.9

[M-H]-

948.919224

241.5

[M+NH4]+

967.960323

241.3

[M+K]+

988.889658

244.3

[M+H-H2O]+

932.923760

215.9

[M+HCOO]-

994.924701

240.8

[M+CH3COO]-

1008.940351

275.1

[M+Na-2H]-

970.901166

230.8

[M]+

949.92595142

224.3

[M]-

949.92704858

224.3

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

37486-69-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe