CID 70898

Trineophyltin chloride

Structural Information

Molecular Formula
C30H39ClSn
SMILES
CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)(CC(C)(C)C2=CC=CC=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/3C10H13.ClH.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;;/h3*4-8H,1H2,2-3H3;1H;/q;;;;+1/p-1
InChIKey
HWTBIXMGMPYDQQ-UHFFFAOYSA-M
Compound name
chloro-tris(2-methyl-2-phenylpropyl)stannane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

554.1762 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.18348 234.2
[M+Na]+ 577.16542 236.2
[M-H]- 553.16892 240.9
[M+NH4]+ 572.21002 242.2
[M+K]+ 593.13936 227.9
[M+H-H2O]+ 537.17346 223.6
[M+HCOO]- 599.17440 241.6
[M+CH3COO]- 613.19005 237.6
[M+Na-2H]- 575.15087 236.4
[M]+ 554.17565 236.5
[M]- 554.17675 236.5
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

patents stripe