CID 363590

Nsc628586

Structural Information

Molecular Formula
C27H21NSSn
SMILES
C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)SC4=CC=CC5=C4N=CC=C5
InChI
InChI=1S/C9H7NS.3C6H5.Sn/c11-8-5-1-3-7-4-2-6-10-9(7)8;3*1-2-4-6-5-3-1;/h1-6,11H;3*1-5H;/q;;;;+1/p-1
InChIKey
QBPAGYNLQBGOOV-UHFFFAOYSA-M
Compound name
triphenyl(quinolin-8-ylsulfanyl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.0417 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.04898 216.7
[M+Na]+ 534.03092 222.2
[M-H]- 510.03442 226.4
[M+NH4]+ 529.07552 224.9
[M+K]+ 550.00486 212.5
[M+H-H2O]+ 494.03896 204.0
[M+HCOO]- 556.03990 229.4
[M+CH3COO]- 570.05555 223.5
[M+Na-2H]- 532.01637 220.5
[M]+ 511.04115 215.5
[M]- 511.04225 215.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.