246234-80-0 (C19H25F17O3Si)

Structural Information

Molecular Formula

SMILES

CC(C)O[Si](CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OC(C)C)OC(C)C

InChI

InChI=1S/C19H25F17O3Si/c1-9(2)37-40(38-10(3)4,39-11(5)6)8-7-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h9-11H,7-8H2,1-6H3

InChIKey

OUVSPPNCAAZLIA-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-tri(propan-2-yloxy)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]+	653.137376	211.1
[M+Na]+	675.119318	215.5
[M-H]-	651.122824	220.7
[M+NH4]+	670.163923	225.6
[M+K]+	691.093258	228.6
[M+H-H2O]+	635.127360	200.0
[M+HCOO]-	697.128301	222.9
[M+CH3COO]-	711.143951	261.9
[M+Na-2H]-	673.104766	207.0
[M]+	652.12955142	211.2
[M]-	652.13064858	211.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

653.137376

211.1

[M+Na]+

675.119318

215.5

[M-H]-

651.122824

220.7

[M+NH4]+

670.163923

225.6

[M+K]+

691.093258

228.6

[M+H-H2O]+

635.127360

200.0

[M+HCOO]-

697.128301

222.9

[M+CH3COO]-

711.143951

261.9

[M+Na-2H]-

673.104766

207.0

[M]+

652.12955142

211.2

[M]-

652.13064858

211.2

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

246234-80-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe