CID 16683218

(z)-1,3-diphenyl-3-tricyclohexylstannyloxy-prop-2-en-1-one

Structural Information

Molecular Formula
C33H44O2Sn
SMILES
C1CCC(CC1)[Sn](C2CCCCC2)(C3CCCCC3)O/C(=C\C(=O)C4=CC=CC=C4)/C5=CC=CC=C5
InChI
InChI=1S/C15H12O2.3C6H11.Sn/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;3*1-2-4-6-5-3-1;/h1-11,16H;3*1H,2-6H2;/q;;;;+1/p-1/b14-11-;;;;
InChIKey
RYBKYCNIPVKVRX-VDOWVRHSSA-M
Compound name
(Z)-1,3-diphenyl-3-tricyclohexylstannyloxyprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

592.2363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.24358 239.2
[M+Na]+ 615.22552 230.4
[M-H]- 591.22902 247.2
[M+NH4]+ 610.27012 241.3
[M+K]+ 631.19946 223.6
[M+H-H2O]+ 575.23356 224.7
[M+HCOO]- 637.23450 242.9
[M+CH3COO]- 651.25015 240.2
[M+Na-2H]- 613.21097 231.0
[M]+ 592.23575 222.8
[M]- 592.23685 222.8
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.