CID 16683217

Nsc644920

Structural Information

Molecular Formula
C30H22I2O4Sn
SMILES
C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=CC=C2)/O[Sn](I)(I)O/C(=C\C(=O)C3=CC=CC=C3)/C4=CC=CC=C4
InChI
InChI=1S/2C15H12O2.2HI.Sn/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;;/h2*1-11,16H;2*1H;/q;;;;+4/p-4/b2*14-11-;;;
InChIKey
VUCSSVYYGZKKNU-BGFMMZJESA-J
Compound name
(Z)-3-[diiodo-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]stannyl]oxy-1,3-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

819.863 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 820.87028 265.0
[M+Na]+ 842.85222 250.9
[M-H]- 818.85572 259.0
[M+NH4]+ 837.89682 259.1
[M+K]+ 858.82616 256.6
[M+H-H2O]+ 802.86026 245.8
[M+HCOO]- 864.86120 267.9
[M+CH3COO]- 878.87685 250.4
[M+Na-2H]- 840.83767 244.3
[M]+ 819.86245 257.2
[M]- 819.86355 257.2
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.