CID 16682795

(methylsulfanyl)(triphenyl)plumbane

Structural Information

Molecular Formula

C₁₉H₁₈PbS

SMILES

CS[Pb](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/3C6H5.CH4S.Pb/c3*1-2-4-6-5-3-1;1-2;/h3*1-5H;2H,1H3;/q;;;;+1/p-1

InChIKey

NMSZUCXBCHCSSZ-UHFFFAOYSA-M

Compound name

methylsulfanyl(triphenyl)plumbane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 486.08957 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]+	487.09685	205.0
[M+Na]+	509.07879	209.8
[M-H]-	485.08229	212.5
[M+NH4]+	504.12339	218.1
[M+K]+	525.05273	202.3
[M+H-H2O]+	469.08683	194.5
[M+HCOO]-	531.08777	220.0
[M+CH3COO]-	545.10342	213.2
[M+Na-2H]-	507.06424	206.0
[M]+	486.08902	204.9
[M]-	486.09012	204.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe