CID 16684521

D2j6j8bk0q

Structural Information

Molecular Formula
C21H34O4Sn
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1OC(=O)C
InChI
InChI=1S/C9H8O4.3C4H9.Sn/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;3*1-3-4-2;/h2-5H,1H3,(H,11,12);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
ZUWWEGWEUMHGLQ-UHFFFAOYSA-M
Compound name
tributylstannyl 2-acetyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

470.14792 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.15520 214.5
[M+Na]+ 493.13714 216.8
[M-H]- 469.14064 215.6
[M+NH4]+ 488.18174 226.0
[M+K]+ 509.11108 213.7
[M+H-H2O]+ 453.14518 205.8
[M+HCOO]- 515.14612 231.2
[M+CH3COO]- 529.16177 222.4
[M+Na-2H]- 491.12259 211.4
[M]+ 470.14737 222.1
[M]- 470.14847 222.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe