PubChemLite - Silane, triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluorododecyl)- (C18H19F21O3Si)

Structural Information

Molecular Formula

SMILES

CCO[Si](CCC(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/C18H19F21O3Si/c1-4-40-43(41-5-2,42-6-3)8-7-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h4-8H2,1-3H3

InChIKey

KWEUJTRPCBXYLS-UHFFFAOYSA-N

Compound name

triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)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]+	711.08408	206.1
[M+Na]+	733.06602	208.7
[M-H]-	709.06952	215.1
[M+NH4]+	728.11062	218.4
[M+K]+	749.03996	222.8
[M+H-H2O]+	693.07406	192.5
[M+HCOO]-	755.07500	223.9
[M+CH3COO]-	769.09065	265.8
[M+Na-2H]-	731.05147	203.3
[M]+	710.07625	206.3
[M]-	710.07735	206.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

711.08408

206.1

[M+Na]+

733.06602

208.7

[M-H]-

709.06952

215.1

[M+NH4]+

728.11062

218.4

[M+K]+

749.03996

222.8

[M+H-H2O]+

693.07406

192.5

[M+HCOO]-

755.07500

223.9

[M+CH3COO]-

769.09065

265.8

[M+Na-2H]-

731.05147

203.3

[M]+

710.07625

206.3

[M]-

710.07735

206.3

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

Silane, triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluorododecyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe