CID 16683128

Nsc628563

Structural Information

Molecular Formula
C15H20I2O3Sn
SMILES
CCCC[Sn]1(OC2=C(C=C(C=C2I)I)C(=O)O1)CCCC
InChI
InChI=1S/C7H4I2O3.2C4H9.Sn/c8-3-1-4(7(11)12)6(10)5(9)2-3;2*1-3-4-2;/h1-2,10H,(H,11,12);2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKey
SEMYGSGDQLBXEG-UHFFFAOYSA-L
Compound name
2,2-dibutyl-6,8-diiodo-1,3,2-benzodioxastannin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

621.8524 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.85968 197.7
[M+Na]+ 644.84162 190.4
[M-H]- 620.84512 189.7
[M+NH4]+ 639.88622 202.5
[M+K]+ 660.81556 200.3
[M+H-H2O]+ 604.84966 184.5
[M+HCOO]- 666.85060 203.4
[M+CH3COO]- 680.86625 226.6
[M+Na-2H]- 642.82707 182.9
[M]+ 621.85185 196.6
[M]- 621.85295 196.6
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.