429-67-4 (C16H28F12O4Si4)

Structural Information

Molecular Formula

SMILES

C[Si]1(O[Si](O[Si](O[Si](O1)(C)CCC(F)(F)F)(C)CCC(F)(F)F)(C)CCC(F)(F)F)CCC(F)(F)F

InChI

InChI=1S/C16H28F12O4Si4/c1-33(9-5-13(17,18)19)29-34(2,10-6-14(20,21)22)31-36(4,12-8-16(26,27)28)32-35(3,30-33)11-7-15(23,24)25/h5-12H2,1-4H3

InChIKey

XOVNCWWRDSAYNE-UHFFFAOYSA-N

Compound name

2,4,6,8-tetramethyl-2,4,6,8-tetrakis(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

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]+	625.094576	206.6
[M+Na]+	647.076518	211.8
[M-H]-	623.080024	203.0
[M+NH4]+	642.121123	209.8
[M+K]+	663.050458	212.8
[M+H-H2O]+	607.084560	200.5
[M+HCOO]-	669.085501	203.9
[M+CH3COO]-	683.101151	250.0
[M+Na-2H]-	645.061966	204.5
[M]+	624.08675142	201.9
[M]-	624.08784858	201.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

625.094576

206.6

[M+Na]+

647.076518

211.8

[M-H]-

623.080024

203.0

[M+NH4]+

642.121123

209.8

[M+K]+

663.050458

212.8

[M+H-H2O]+

607.084560

200.5

[M+HCOO]-

669.085501

203.9

[M+CH3COO]-

683.101151

250.0

[M+Na-2H]-

645.061966

204.5

[M]+

624.08675142

201.9

[M]-

624.08784858

201.9

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

429-67-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe