521069-01-2 (C21H23ClF26O2Si3)

Structural Information

Molecular Formula

SMILES

C[Si](C)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O[Si](C)(O[Si](C)(C)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl

InChI

InChI=1S/C21H23ClF26O2Si3/c1-51(2,8-6-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(43,44)45)49-53(5,22)50-52(3,4)9-7-11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)21(46,47)48/h6-9H2,1-5H3

InChIKey

OYYHZXTWPXQWOH-UHFFFAOYSA-N

Compound name

chloro-bis[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy]-methylsilane

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]+	921.035176	238.5
[M+Na]+	943.017118	240.2
[M-H]-	919.020624	251.1
[M+NH4]+	938.061723	252.5
[M+K]+	958.991058	258.0
[M+H-H2O]+	903.025160	223.1
[M+HCOO]-	965.026101	254.3
[M+CH3COO]-	979.041751	280.2
[M+Na-2H]-	941.002566	236.9
[M]+	920.02735142	240.8
[M]-	920.02844858	240.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

921.035176

238.5

[M+Na]+

943.017118

240.2

[M-H]-

919.020624

251.1

[M+NH4]+

938.061723

252.5

[M+K]+

958.991058

258.0

[M+H-H2O]+

903.025160

223.1

[M+HCOO]-

965.026101

254.3

[M+CH3COO]-

979.041751

280.2

[M+Na-2H]-

941.002566

236.9

[M]+

920.02735142

240.8

[M]-

920.02844858

240.8

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

521069-01-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe