CID 363588

Nsc628584

Structural Information

Molecular Formula
C15H20Cl2O4Sn
SMILES
CC(=O)OCC(CCC[Sn](C1=CC=CC=C1)(Cl)Cl)OC(=O)C
InChI
InChI=1S/C9H15O4.C6H5.2ClH.Sn/c1-4-5-9(13-8(3)11)6-12-7(2)10;1-2-4-6-5-3-1;;;/h9H,1,4-6H2,2-3H3;1-5H;2*1H;/q;;;;+2/p-2
InChIKey
VATRJNXLYIAHPC-UHFFFAOYSA-L
Compound name
[2-acetyloxy-5-[dichloro(phenyl)stannyl]pentyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.97607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.98335 195.7
[M+Na]+ 476.96529 200.9
[M-H]- 452.96879 197.4
[M+NH4]+ 472.00989 209.1
[M+K]+ 492.93923 196.1
[M+H-H2O]+ 436.97333 189.8
[M+HCOO]- 498.97427 204.4
[M+CH3COO]- 512.98992 212.0
[M+Na-2H]- 474.95074 194.6
[M]+ 453.97552 203.6
[M]- 453.97662 203.6
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.