CID 16684201

Triphenyltin benzoate

Structural Information

Molecular Formula
C25H20O2Sn
SMILES
C1=CC=C(C=C1)C(=O)O[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C7H6O2.3C6H5.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h1-5H,(H,8,9);3*1-5H;/q;;;;+1/p-1
InChIKey
RUCJDJBHYCEOKH-UHFFFAOYSA-M
Compound name
triphenylstannyl benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

472.04852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.05580 209.2
[M+Na]+ 495.03774 212.3
[M-H]- 471.04124 219.5
[M+NH4]+ 490.08234 218.2
[M+K]+ 511.01168 205.6
[M+H-H2O]+ 455.04578 197.0
[M+HCOO]- 517.04672 228.2
[M+CH3COO]- 531.06237 216.8
[M+Na-2H]- 493.02319 212.6
[M]+ 472.04797 207.1
[M]- 472.04907 207.1
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