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 201.2
[M+Na]+ 556.88735 212.3
[M-H]- 532.89085 203.9
[M+NH4]+ 551.93195 212.8
[M+K]+ 572.86129 211.9
[M+H-H2O]+ 516.89539 196.0
[M+HCOO]- 578.89633 199.1
[M+CH3COO]- 592.91198 228.0
[M+Na-2H]- 554.87280 199.8
[M]+ 533.89758 206.4
[M]- 533.89868 206.4
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

patents stripe