CID 86714

Trichloro(2,4,4-trimethylpentyl)silane

Structural Information

Molecular Formula

C₈H₁₇Cl₃Si

SMILES

CC(CC(C)(C)C)C[Si](Cl)(Cl)Cl

InChI

InChI=1S/C8H17Cl3Si/c1-7(5-8(2,3)4)6-12(9,10)11/h7H,5-6H2,1-4H3

InChIKey

XEPLIPFTDXHUHB-UHFFFAOYSA-N

Compound name

trichloro(2,4,4-trimethylpentyl)silane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 27
Patents: 246.01651 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

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]+	247.02379	151.2
[M+Na]+	269.00573	158.9
[M-H]-	245.00923	150.0
[M+NH4]+	264.05033	170.7
[M+K]+	284.97967	153.9
[M+H-H2O]+	229.01377	149.4
[M+HCOO]-	291.01471	155.0
[M+CH3COO]-	305.03036	191.6
[M+Na-2H]-	266.99118	154.4
[M]+	246.01596	154.2
[M]-	246.01706	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe