CID 16684417

Nsc644918

Structural Information

Molecular Formula
C25H20O2Sn
SMILES
C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)OC4=CC=CC=CC4=O
InChI
InChI=1S/C7H6O2.3C6H5.Sn/c8-6-4-2-1-3-5-7(6)9;3*1-2-4-6-5-3-1;/h1-5H,(H,8,9);3*1-5H;/q;;;;+1/p-1
InChIKey
SSAYBEOGHWGVGB-UHFFFAOYSA-M
Compound name
2-triphenylstannyloxycyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.04852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.05580 211.4
[M+Na]+ 495.03774 214.7
[M-H]- 471.04124 222.9
[M+NH4]+ 490.08234 220.4
[M+K]+ 511.01168 213.0
[M+H-H2O]+ 455.04578 202.3
[M+HCOO]- 517.04672 230.8
[M+CH3COO]- 531.06237 219.1
[M+Na-2H]- 493.02319 214.4
[M]+ 472.04797 207.6
[M]- 472.04907 207.6
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.