CID 16683183

Nsc636808

Structural Information

Molecular Formula
C11H13Cl3O3Sn
SMILES
C[Sn]1(OCC(O1)COC2=CC(=C(C=C2Cl)Cl)Cl)C
InChI
InChI=1S/C9H7Cl3O3.2CH3.Sn/c10-6-1-8(12)9(2-7(6)11)15-4-5(14)3-13;;;/h1-2,5H,3-4H2;2*1H3;/q-2;;;+2
InChIKey
XXRGSMBVCVICLR-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-[(2,4,5-trichlorophenoxy)methyl]-1,3,2-dioxastannolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.89523 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.90251 182.6
[M+Na]+ 440.88445 192.4
[M-H]- 416.88795 188.3
[M+NH4]+ 435.92905 199.2
[M+K]+ 456.85839 188.6
[M+H-H2O]+ 400.89249 178.3
[M+HCOO]- 462.89343 187.8
[M+CH3COO]- 476.90908 204.2
[M+Na-2H]- 438.86990 182.9
[M]+ 417.89468 189.0
[M]- 417.89578 189.0
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.