CID 16682834

Tributyltin benzoate

Structural Information

Molecular Formula
C19H32O2Sn
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1
InChI
InChI=1S/C7H6O2.3C4H9.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-3-4-2;/h1-5H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
JUEAPPHORMOWPK-UHFFFAOYSA-M
Compound name
tributylstannyl benzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

908
Patents

412.14243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.149706 201.6
[M+Na]+ 435.131648 203.9
[M-H]- 411.135154 202.6
[M+NH4]+ 430.176253 215.4
[M+K]+ 451.105588 200.1
[M+H-H2O]+ 395.139690 193.2
[M+HCOO]- 457.140631 219.3
[M+CH3COO]- 471.156281 212.1
[M+Na-2H]- 433.117096 201.1
[M]+ 412.14188142 206.6
[M]- 412.14297858 206.6
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