CID 16683227

Nsc645569

Structural Information

Molecular Formula
C13H18O4Sn
SMILES
CC(=O)OC(C1=CC=CC=C1)C(=O)O[Sn](C)(C)C
InChI
InChI=1S/C10H10O4.3CH3.Sn/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8;;;;/h2-6,9H,1H3,(H,12,13);3*1H3;/q;;;;+1/p-1
InChIKey
ICDJRTYROVFNKZ-UHFFFAOYSA-M
Compound name
trimethylstannyl 2-acetyloxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0227 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.02998 177.6
[M+Na]+ 381.01192 182.2
[M-H]- 357.01542 180.0
[M+NH4]+ 376.05652 193.4
[M+K]+ 396.98586 181.5
[M+H-H2O]+ 341.01996 170.4
[M+HCOO]- 403.02090 196.1
[M+CH3COO]- 417.03655 198.3
[M+Na-2H]- 378.99737 178.3
[M]+ 358.02215 181.3
[M]- 358.02325 181.3
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

No patent data available for this compound.