CID 16683210

Nsc644908

Structural Information

Molecular Formula
C33H26O2Pb
SMILES
C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=CC=C2)/O[Pb](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C15H12O2.3C6H5.Pb/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*1-5H;/q;;;;+1/p-1/b14-11-;;;;
InChIKey
FENYMSNLGWHJKX-VDOWVRHSSA-M
Compound name
(Z)-1,3-diphenyl-3-triphenylplumbyloxyprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

662.1699 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.17718 253.1
[M+Na]+ 685.15912 252.4
[M-H]- 661.16262 263.9
[M+NH4]+ 680.20372 255.4
[M+K]+ 701.13306 243.7
[M+H-H2O]+ 645.16716 237.5
[M+HCOO]- 707.16810 267.8
[M+CH3COO]- 721.18375 256.0
[M+Na-2H]- 683.14457 251.4
[M]+ 662.16935 248.6
[M]- 662.17045 248.6
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.