Triethoxy(henicosafluorodecyl)silane (C16H15F21O3Si)

Structural Information

Molecular Formula

SMILES

CCO[Si](C(C(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)(F)F)(F)F)(OCC)OCC

InChI

InChI=1S/C16H15F21O3Si/c1-4-38-41(39-5-2,40-6-3)16(36,37)14(31,32)12(27,28)10(23,24)8(19,20)7(17,18)9(21,22)11(25,26)13(29,30)15(33,34)35/h4-6H2,1-3H3

InChIKey

AKDASAAPMBNOJM-UHFFFAOYSA-N

Compound name

triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)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]+	683.052806	199.3
[M+Na]+	705.034748	202.2
[M-H]-	681.038254	208.8
[M+NH4]+	700.079353	211.6
[M+K]+	721.008688	215.6
[M+H-H2O]+	665.042790	185.9
[M+HCOO]-	727.043731	217.7
[M+CH3COO]-	741.059381	261.6
[M+Na-2H]-	703.020196	197.3
[M]+	682.04498142	199.5
[M]-	682.04607858	199.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

683.052806

199.3

[M+Na]+

705.034748

202.2

[M-H]-

681.038254

208.8

[M+NH4]+

700.079353

211.6

[M+K]+

721.008688

215.6

[M+H-H2O]+

665.042790

185.9

[M+HCOO]-

727.043731

217.7

[M+CH3COO]-

741.059381

261.6

[M+Na-2H]-

703.020196

197.3

[M]+

682.04498142

199.5

[M]-

682.04607858

199.5

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

Triethoxy(henicosafluorodecyl)silane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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