CID 6475448

[(e)-2-(5-bromo-2,4-dioxo-pyrimidin-1-yl)vinyl]phosphonic acid

Structural Information

Molecular Formula
C6H6BrN2O5P
SMILES
C1=C(C(=O)NC(=O)N1/C=C/P(=O)(O)O)Br
InChI
InChI=1S/C6H6BrN2O5P/c7-4-3-9(1-2-15(12,13)14)6(11)8-5(4)10/h1-3H,(H,8,10,11)(H2,12,13,14)/b2-1+
InChIKey
OPZZCDGALFYRFI-OWOJBTEDSA-N
Compound name
[(E)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)ethenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.91977 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.92705 155.2
[M+Na]+ 318.90899 168.0
[M-H]- 294.91249 154.9
[M+NH4]+ 313.95359 170.3
[M+K]+ 334.88293 155.4
[M+H-H2O]+ 278.91703 152.5
[M+HCOO]- 340.91797 175.7
[M+CH3COO]- 354.93362 187.9
[M+Na-2H]- 316.89444 159.1
[M]+ 295.91922 173.5
[M]- 295.92032 173.5
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.