CID 16683419

Triphenyltin propiolate

Structural Information

Molecular Formula
C21H16O2Sn
SMILES
C#CC(=O)O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/3C6H5.C3H2O2.Sn/c3*1-2-4-6-5-3-1;1-2-3(4)5;/h3*1-5H;1H,(H,4,5);/q;;;;+1/p-1
InChIKey
WYIXOCNBZIKWBD-UHFFFAOYSA-M
Compound name
triphenylstannyl prop-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.01724 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.02452 203.5
[M+Na]+ 443.00646 211.0
[M-H]- 419.00996 208.2
[M+NH4]+ 438.05106 213.7
[M+K]+ 458.98040 201.6
[M+H-H2O]+ 403.01450 187.4
[M+HCOO]- 465.01544 217.2
[M+CH3COO]- 479.03109 213.4
[M+Na-2H]- 440.99191 204.5
[M]+ 420.01669 196.6
[M]- 420.01779 196.6
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.