PubChemLite - 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]+	683.05281	199.3
[M+Na]+	705.03475	202.2
[M-H]-	681.03825	208.8
[M+NH4]+	700.07935	211.6
[M+K]+	721.00869	215.6
[M+H-H2O]+	665.04279	185.9
[M+HCOO]-	727.04373	217.7
[M+CH3COO]-	741.05938	261.6
[M+Na-2H]-	703.02020	197.3
[M]+	682.04498	199.5
[M]-	682.04608	199.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

683.05281

199.3

[M+Na]+

705.03475

202.2

[M-H]-

681.03825

208.8

[M+NH4]+

700.07935

211.6

[M+K]+

721.00869

215.6

[M+H-H2O]+

665.04279

185.9

[M+HCOO]-

727.04373

217.7

[M+CH3COO]-

741.05938

261.6

[M+Na-2H]-

703.02020

197.3

[M]+

682.04498

199.5

[M]-

682.04608

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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