CID 4106139

124187-26-4

Structural Information

Molecular Formula

C₂₅H₁₉NSSn

SMILES

C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C7H4NS.3C6H5.Sn/c1-2-4-7-6(3-1)8-5-9-7;3*1-2-4-6-5-3-1;/h1-4H;3*1-5H;

InChIKey

JMXLIKMDMJOISI-UHFFFAOYSA-N

Compound name

1,3-benzothiazol-2-yl(triphenyl)stannane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 485.02603 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]+	486.03331	210.6
[M+Na]+	508.01525	218.5
[M-H]-	484.01875	222.0
[M+NH4]+	503.05985	222.4
[M+K]+	523.98919	209.4
[M+H-H2O]+	468.02329	199.8
[M+HCOO]-	530.02423	226.7
[M+CH3COO]-	544.03988	219.4
[M+Na-2H]-	506.00070	213.2
[M]+	485.02548	211.8
[M]-	485.02658	211.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe