CID 16684403

(z)-4-bis[(z)-3-oxo-1-phenyl-but-1-enoxy]thallanyloxy-4-phenyl-but-3-en-2-one

Structural Information

Molecular Formula
C30H27O6Tl
SMILES
CC(=O)/C=C(\O[Tl](O/C(=C\C(=O)C)/C1=CC=CC=C1)O/C(=C\C(=O)C)/C2=CC=CC=C2)/C3=CC=CC=C3
InChI
InChI=1S/3C10H10O2.Tl/c3*1-8(11)7-10(12)9-5-3-2-4-6-9;/h3*2-7,12H,1H3;/q;;;+3/p-3/b3*10-7-;
InChIKey
KTEBDUGKLAWHSD-YNEVXYPXSA-K
Compound name
(Z)-4-bis[(Z)-3-oxo-1-phenylbut-1-enoxy]thallanyloxy-4-phenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

688.1552 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.16248 257.4
[M+Na]+ 711.14442 254.8
[M-H]- 687.14792 262.8
[M+NH4]+ 706.18902 259.2
[M+K]+ 727.11836 250.4
[M+H-H2O]+ 671.15246 244.3
[M+HCOO]- 733.15340 270.0
[M+CH3COO]- 747.16905 247.0
[M+Na-2H]- 709.12987 247.4
[M]+ 688.15465 258.8
[M]- 688.15575 258.8
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.