CID 16683027

Dibutyltin tetrachlorophthalate

Structural Information

Molecular Formula
C16H18Cl4O4Sn
SMILES
CCCC[Sn]1(OC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O1)CCCC
InChI
InChI=1S/C8H2Cl4O4.2C4H9.Sn/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;2*1-3-4-2;/h(H,13,14)(H,15,16);2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKey
RSGPGQHLRVNHLV-UHFFFAOYSA-L
Compound name
3,3-dibutyl-6,7,8,9-tetrachloro-2,4,3-benzodioxastannepine-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

533.89813 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.90541 195.3
[M+Na]+ 556.88735 207.2
[M+NH4]+ 551.93195 201.9
[M+K]+ 572.86129 198.9
[M-H]- 532.89085 197.4
[M+Na-2H]- 554.87280 197.3
[M]+ 533.89758 198.8
[M]- 533.89868 198.8
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