CID 16683182

Nsc636803

Structural Information

Molecular Formula
C17H25Cl3O3Sn
SMILES
CCCC[Sn]1(OCC(O1)COC2=C(C=C(C=C2Cl)Cl)Cl)CCCC
InChI
InChI=1S/C9H7Cl3O3.2C4H9.Sn/c10-5-1-7(11)9(8(12)2-5)15-4-6(14)3-13;2*1-3-4-2;/h1-2,6H,3-4H2;2*1,3-4H2,2H3;/q-2;;;+2
InChIKey
JRPGLHOGWXXNRS-UHFFFAOYSA-N
Compound name
2,2-dibutyl-4-[(2,4,6-trichlorophenoxy)methyl]-1,3,2-dioxastannolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.98914 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.99642 209.9
[M+Na]+ 524.97836 217.2
[M-H]- 500.98186 214.6
[M+NH4]+ 520.02296 223.1
[M+K]+ 540.95230 212.0
[M+H-H2O]+ 484.98640 204.3
[M+HCOO]- 546.98734 213.1
[M+CH3COO]- 561.00299 221.0
[M+Na-2H]- 522.96381 207.1
[M]+ 501.98859 218.4
[M]- 501.98969 218.4
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.