CID 71311301

Dtxsid60746518

Structural Information

Molecular Formula
C5H7O2Tl
SMILES
C/C(=C\C(=O)C)/O[Tl]
InChI
InChI=1S/C5H8O2.Tl/c1-4(6)3-5(2)7;/h3,6H,1-2H3;/q;+1/p-1/b4-3+;
InChIKey
QGQYKYKTENVDSC-BJILWQEISA-M
Compound name
[(E)-4-oxopent-2-en-2-yl]oxythallium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.01904 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02632 160.6
[M+Na]+ 327.00826 166.6
[M-H]- 303.01176 159.7
[M+NH4]+ 322.05286 181.3
[M+K]+ 342.98220 165.9
[M+H-H2O]+ 287.01630 154.4
[M+HCOO]- 349.01724 181.2
[M+CH3COO]- 363.03289 177.9
[M+Na-2H]- 324.99371 161.3
[M]+ 304.01849 162.2
[M]- 304.01959 162.2
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.