CID 16683214

Nsc644913

Structural Information

Molecular Formula
C23H22O2Sn
SMILES
C/C(=C/C(=O)C)/O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/3C6H5.C5H8O2.Sn/c3*1-2-4-6-5-3-1;1-4(6)3-5(2)7;/h3*1-5H;3,6H,1-2H3;/q;;;;+1/p-1/b;;;4-3-;
InChIKey
SXXUCFXILVJEBP-YOLRLSNNSA-M
Compound name
(Z)-4-triphenylstannyloxypent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.06418 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.07146 204.6
[M+Na]+ 473.05340 207.4
[M-H]- 449.05690 212.1
[M+NH4]+ 468.09800 215.3
[M+K]+ 489.02734 201.6
[M+H-H2O]+ 433.06144 193.9
[M+HCOO]- 495.06238 222.6
[M+CH3COO]- 509.07803 215.7
[M+Na-2H]- 471.03885 205.8
[M]+ 450.06363 203.7
[M]- 450.06473 203.7
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.