CID 13270357

4-phenylbutyltrichlorosilane

Structural Information

Molecular Formula

C₁₀H₁₃Cl₃Si

SMILES

C1=CC=C(C=C1)CCCC[Si](Cl)(Cl)Cl

InChI

InChI=1S/C10H13Cl3Si/c11-14(12,13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

InChIKey

IRSHKGIWUBHUIQ-UHFFFAOYSA-N

Compound name

trichloro(4-phenylbutyl)silane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 177
Patents: 265.9852 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]+	266.99248	154.3
[M+Na]+	288.97442	162.4
[M-H]-	264.97792	155.4
[M+NH4]+	284.01902	172.6
[M+K]+	304.94836	155.7
[M+H-H2O]+	248.98246	150.4
[M+HCOO]-	310.98340	161.2
[M+CH3COO]-	324.99905	192.0
[M+Na-2H]-	286.95987	159.2
[M]+	265.98465	157.3
[M]-	265.98575	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe