CID 16683422

Triphenyltin cyanoacetate

Structural Information

Molecular Formula
C21H17NO2Sn
SMILES
C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)CC#N
InChI
InChI=1S/3C6H5.C3H3NO2.Sn/c3*1-2-4-6-5-3-1;4-2-1-3(5)6;/h3*1-5H;1H2,(H,5,6);/q;;;;+1/p-1
InChIKey
RFTABJIVTIKRTN-UHFFFAOYSA-M
Compound name
triphenylstannyl 2-cyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.02814 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.03542 198.8
[M+Na]+ 458.01736 212.6
[M+NH4]+ 453.06196 203.1
[M+K]+ 473.99130 199.9
[M-H]- 434.02086 197.0
[M+Na-2H]- 456.00281 205.8
[M]+ 435.02759 199.7
[M]- 435.02869 199.7
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.