CID 16683071

Tributyltin salicylate

Structural Information

Molecular Formula
C19H32O3Sn
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C7H6O3.3C4H9.Sn/c8-6-4-2-1-3-5(6)7(9)10;3*1-3-4-2;/h1-4,8H,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
ZSMRBQSZBQBLKB-UHFFFAOYSA-M
Compound name
tributylstannyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

86
Patents

428.13736 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.14464 204.3
[M+Na]+ 451.12658 207.0
[M-H]- 427.13008 204.2
[M+NH4]+ 446.17118 216.9
[M+K]+ 467.10052 202.9
[M+H-H2O]+ 411.13462 196.1
[M+HCOO]- 473.13556 220.7
[M+CH3COO]- 487.15121 212.7
[M+Na-2H]- 449.11203 202.7
[M]+ 428.13681 209.1
[M]- 428.13791 209.1
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