CID 16683254

Nsc654607

Structural Information

Molecular Formula
C26H22O3Sn
SMILES
COC1=CC=CC=C1C(=O)O[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C8H8O3.3C6H5.Sn/c1-11-7-5-3-2-4-6(7)8(9)10;3*1-2-4-6-5-3-1;/h2-5H,1H3,(H,9,10);3*1-5H;/q;;;;+1/p-1
InChIKey
IDVIHOUTCPCVEP-UHFFFAOYSA-M
Compound name
triphenylstannyl 2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

502.05908 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.06636 217.2
[M+Na]+ 525.04830 220.5
[M-H]- 501.05180 227.7
[M+NH4]+ 520.09290 225.2
[M+K]+ 541.02224 214.6
[M+H-H2O]+ 485.05634 204.5
[M+HCOO]- 547.05728 236.0
[M+CH3COO]- 561.07293 223.8
[M+Na-2H]- 523.03375 219.4
[M]+ 502.05853 217.1
[M]- 502.05963 217.1
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

patents stripe