PubChemLite - Dtxsid10895540 (C18H19F21Si)

Structural Information

Molecular Formula

SMILES

CC(C)[SiH](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)C(C)C

InChI

InChI=1S/C18H19F21Si/c1-7(2)40(8(3)4)6-5-9(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/h7-8,40H,5-6H2,1-4H3

InChIKey

RUODWQBAJXCKCP-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl-di(propan-2-yl)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]+	663.09932	212.2
[M+Na]+	685.08126	217.2
[M-H]-	661.08476	221.5
[M+NH4]+	680.12586	225.3
[M+K]+	701.05520	231.5
[M+H-H2O]+	645.08930	200.4
[M+HCOO]-	707.09024	224.0
[M+CH3COO]-	721.10589	262.9
[M+Na-2H]-	683.06671	210.2
[M]+	662.09149	210.1
[M]-	662.09259	210.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

663.09932

212.2

[M+Na]+

685.08126

217.2

[M-H]-

661.08476

221.5

[M+NH4]+

680.12586

225.3

[M+K]+

701.05520

231.5

[M+H-H2O]+

645.08930

200.4

[M+HCOO]-

707.09024

224.0

[M+CH3COO]-

721.10589

262.9

[M+Na-2H]-

683.06671

210.2

[M]+

662.09149

210.1

[M]-

662.09259

210.1

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

Dtxsid10895540

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe