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 206.8
[M+Na]+ 458.01736 213.7
[M-H]- 434.02086 212.4
[M+NH4]+ 453.06196 216.6
[M+K]+ 473.99130 205.1
[M+H-H2O]+ 418.02540 189.9
[M+HCOO]- 480.02634 222.6
[M+CH3COO]- 494.04199 220.0
[M+Na-2H]- 456.00281 208.5
[M]+ 435.02759 200.8
[M]- 435.02869 200.8
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.