CID 16684400

Nsc644916

Structural Information

Molecular Formula
C27H21O2Tl
SMILES
C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=CC=C2)/O[Tl](C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C15H12O2.2C6H5.Tl/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2-4-6-5-3-1;/h1-11,16H;2*1-5H;/q;;;+1/p-1/b14-11-;;;
InChIKey
BXPXWXKKDQQWGR-MKQFFWQFSA-M
Compound name
(Z)-3-diphenylthallanyloxy-1,3-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.1286 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.13588 233.3
[M+Na]+ 605.11782 233.7
[M-H]- 581.12132 242.2
[M+NH4]+ 600.16242 239.7
[M+K]+ 621.09176 226.2
[M+H-H2O]+ 565.12586 219.6
[M+HCOO]- 627.12680 250.3
[M+CH3COO]- 641.14245 238.2
[M+Na-2H]- 603.10327 230.8
[M]+ 582.12805 230.2
[M]- 582.12915 230.2
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.