CID 16684401

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

Structural Information

Molecular Formula
C19H21O2Tl
SMILES
CC[Tl](CC)O/C(=C\C(=O)C1=CC=CC=C1)/C2=CC=CC=C2
InChI
InChI=1S/C15H12O2.2C2H5.Tl/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2;/h1-11,16H;2*1H2,2H3;/q;;;+1/p-1/b14-11-;;;
InChIKey
ZBJKZEASWOJZEL-MKQFFWQFSA-M
Compound name
(Z)-3-diethylthallanyloxy-1,3-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.12857 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.13585 210.7
[M+Na]+ 509.11779 212.7
[M-H]- 485.12129 214.5
[M+NH4]+ 504.16239 222.8
[M+K]+ 525.09173 207.6
[M+H-H2O]+ 469.12583 200.2
[M+HCOO]- 531.12677 228.5
[M+CH3COO]- 545.14242 211.8
[M+Na-2H]- 507.10324 207.6
[M]+ 486.12802 211.2
[M]- 486.12912 211.2
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.