CID 16683220

Nsc644924

Structural Information

Molecular Formula
C22H28O4Sn
SMILES
CCCC[Sn](CCCC)(OC1=CC=CC=CC1=O)OC2=CC=CC=CC2=O
InChI
InChI=1S/2C7H6O2.2C4H9.Sn/c2*8-6-4-2-1-3-5-7(6)9;2*1-3-4-2;/h2*1-5H,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
QJBYAJGWWPRWJG-UHFFFAOYSA-L
Compound name
2-[dibutyl-(7-oxocyclohepta-1,3,5-trien-1-yl)oxystannyl]oxycyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.10095 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.10823 206.3
[M+Na]+ 499.09017 210.9
[M-H]- 475.09367 213.8
[M+NH4]+ 494.13477 215.7
[M+K]+ 515.06411 213.2
[M+H-H2O]+ 459.09821 201.3
[M+HCOO]- 521.09915 224.2
[M+CH3COO]- 535.11480 224.6
[M+Na-2H]- 497.07562 206.5
[M]+ 476.10040 208.0
[M]- 476.10150 208.0
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.