CID 53413549

4-phenylbutylmethyldichlorosilane

Structural Information

Molecular Formula

C₁₁H₁₆Cl₂Si

SMILES

C[Si](CCCCC1=CC=CC=C1)(Cl)Cl

InChI

InChI=1S/C11H16Cl2Si/c1-14(12,13)10-6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3

InChIKey

MEBCFWIOGCOGTB-UHFFFAOYSA-N

Compound name

dichloro-methyl-(4-phenylbutyl)silane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 246.03983 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]+	247.04711	153.0
[M+Na]+	269.02905	167.3
[M+NH4]+	264.07365	162.7
[M+K]+	285.00299	158.0
[M-H]-	245.03255	155.5
[M+Na-2H]-	267.01450	160.7
[M]+	246.03928	156.6
[M]-	246.04038	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe