Dtxsid201033098 (C18H16F23NO4Si)

Structural Information

Molecular Formula

SMILES

CO[Si](CCCNC(=O)C(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)(F)F)(OC)OC

InChI

InChI=1S/C18H16F23NO4Si/c1-44-47(45-2,46-3)6-4-5-42-7(43)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)41/h4-6H2,1-3H3,(H,42,43)

InChIKey

HKFYDSCCAIPETJ-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluoro-N-(3-trimethoxysilylpropyl)dodecanamide

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]+	776.055436	212.3
[M+Na]+	798.037378	215.6
[M-H]-	774.040884	226.2
[M+NH4]+	793.081983	226.3
[M+K]+	814.011318	230.0
[M+H-H2O]+	758.045420	198.1
[M+HCOO]-	820.046361	227.2
[M+CH3COO]-	834.062011	272.4
[M+Na-2H]-	796.022826	210.7
[M]+	775.04761142	210.9
[M]-	775.04870858	210.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

776.055436

212.3

[M+Na]+

798.037378

215.6

[M-H]-

774.040884

226.2

[M+NH4]+

793.081983

226.3

[M+K]+

814.011318

230.0

[M+H-H2O]+

758.045420

198.1

[M+HCOO]-

820.046361

227.2

[M+CH3COO]-

834.062011

272.4

[M+Na-2H]-

796.022826

210.7

[M]+

775.04761142

210.9

[M]-

775.04870858

210.9

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

Dtxsid201033098

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe