CID 6475440

[(z)-2-(2,4-dioxopyrimidin-1-yl)vinyl]phosphonic acid

Structural Information

Molecular Formula
C6H7N2O5P
SMILES
C1=CN(C(=O)NC1=O)/C=C\P(=O)(O)O
InChI
InChI=1S/C6H7N2O5P/c9-5-1-2-8(6(10)7-5)3-4-14(11,12)13/h1-4H,(H,7,9,10)(H2,11,12,13)/b4-3-
InChIKey
CFCWIEBEKTXBJC-ARJAWSKDSA-N
Compound name
[(Z)-2-(2,4-dioxopyrimidin-1-yl)ethenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.00926 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.01654 142.9
[M+Na]+ 240.99848 152.4
[M-H]- 217.00198 139.5
[M+NH4]+ 236.04308 157.2
[M+K]+ 256.97242 149.0
[M+H-H2O]+ 201.00652 134.5
[M+HCOO]- 263.00746 166.4
[M+CH3COO]- 277.02311 176.3
[M+Na-2H]- 238.98393 146.8
[M]+ 218.00871 142.6
[M]- 218.00981 142.6
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.