PubChemLite - Dtxsid80896620 (C16F34O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C16F34O4/c17-1(18,7(25,26)27)13(43,44)51-3(21,9(31,32)33)4(22,10(34,35)36)52-15(47,48)6(24,12(40,41)42)54-16(49,50)5(23,11(37,38)39)53-14(45,46)2(19,20)8(28,29)30

InChIKey

HTQCZDLRLOQUGP-UHFFFAOYSA-N

Compound name

1,1,1,2,3,4,4,4-octafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[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]butane

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]+	902.93263	218.3
[M+Na]+	924.91457	219.6
[M-H]-	900.91807	231.5
[M+NH4]+	919.95917	231.2
[M+K]+	940.88851	234.9
[M+H-H2O]+	884.92261	206.0
[M+HCOO]-	946.92355	233.4
[M+CH3COO]-	960.93920	272.5
[M+Na-2H]-	922.90002	221.8
[M]+	901.92480	215.3
[M]-	901.92590	215.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

902.93263

218.3

[M+Na]+

924.91457

219.6

[M-H]-

900.91807

231.5

[M+NH4]+

919.95917

231.2

[M+K]+

940.88851

234.9

[M+H-H2O]+

884.92261

206.0

[M+HCOO]-

946.92355

233.4

[M+CH3COO]-

960.93920

272.5

[M+Na-2H]-

922.90002

221.8

[M]+

901.92480

215.3

[M]-

901.92590

215.3

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

Dtxsid80896620

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe