CID 16683221

Dtxsid60586799

Structural Information

Molecular Formula
C26H20O4Sn
SMILES
C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(OC3=CC=CC=CC3=O)OC4=CC=CC=CC4=O
InChI
InChI=1S/2C7H6O2.2C6H5.Sn/c2*8-6-4-2-1-3-5-7(6)9;2*1-2-4-6-5-3-1;/h2*1-5H,(H,8,9);2*1-5H;/q;;;;+2/p-2
InChIKey
KZIZOICPXFJBED-UHFFFAOYSA-L
Compound name
2-[(7-oxocyclohepta-1,3,5-trien-1-yl)oxy-diphenylstannyl]oxycyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.0384 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.04568 224.2
[M+Na]+ 539.02762 230.0
[M-H]- 515.03112 236.6
[M+NH4]+ 534.07222 231.4
[M+K]+ 555.00156 231.3
[M+H-H2O]+ 499.03566 218.8
[M+HCOO]- 561.03660 242.5
[M+CH3COO]- 575.05225 231.0
[M+Na-2H]- 537.01307 225.4
[M]+ 516.03785 222.3
[M]- 516.03895 222.3
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.