PubChemLite - Dtxsid90895689 (C21H24F26O2Si3)

Structural Information

Molecular Formula

SMILES

C[SiH](O[Si](C)(C)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O[Si](C)(C)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C21H24F26O2Si3/c1-50(48-51(2,3)8-6-10(22,23)12(26,27)14(30,31)16(34,35)18(38,39)20(42,43)44)49-52(4,5)9-7-11(24,25)13(28,29)15(32,33)17(36,37)19(40,41)21(45,46)47/h50H,6-9H2,1-5H3

InChIKey

VSLHCOZVHMYAKT-UHFFFAOYSA-N

Compound name

[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-methylsilyl]oxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

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]+	887.07418	240.9
[M+Na]+	909.05612	242.8
[M-H]-	885.05962	253.0
[M+NH4]+	904.10072	255.0
[M+K]+	925.03006	260.3
[M+H-H2O]+	869.06416	226.0
[M+HCOO]-	931.06510	254.8
[M+CH3COO]-	945.08075	279.4
[M+Na-2H]-	907.04157	238.5
[M]+	886.06635	240.4
[M]-	886.06745	240.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

887.07418

240.9

[M+Na]+

909.05612

242.8

[M-H]-

885.05962

253.0

[M+NH4]+

904.10072

255.0

[M+K]+

925.03006

260.3

[M+H-H2O]+

869.06416

226.0

[M+HCOO]-

931.06510

254.8

[M+CH3COO]-

945.08075

279.4

[M+Na-2H]-

907.04157

238.5

[M]+

886.06635

240.4

[M]-

886.06745

240.4

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

Dtxsid90895689

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe