CID 76538

Octyltin trichloride

Structural Information

Molecular Formula

C₈H₁₇Cl₃Sn

SMILES

CCCCCCCC[Sn](Cl)(Cl)Cl

InChI

InChI=1S/C8H17.3ClH.Sn/c1-3-5-7-8-6-4-2;;;;/h1,3-8H2,2H3;3*1H;/q;;;;+3/p-3

InChIKey

INTLMJZQCBRQAT-UHFFFAOYSA-K

Compound name

trichloro(octyl)stannane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 1129
Patents: 337.94177 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]+	338.94905	170.9
[M+Na]+	360.93099	177.5
[M-H]-	336.93449	168.2
[M+NH4]+	355.97559	189.1
[M+K]+	376.90493	171.2
[M+H-H2O]+	320.93903	167.4
[M+HCOO]-	382.93997	175.9
[M+CH3COO]-	396.95562	194.8
[M+Na-2H]-	358.91644	172.3
[M]+	337.94122	174.9
[M]-	337.94232	174.9

Literature stripe

literature stripe

Patent stripe

patents stripe