CID 6475453

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

Structural Information

Molecular Formula
C6H6IN2O5P
SMILES
C1=C(C(=O)NC(=O)N1/C=C\P(=O)(O)O)I
InChI
InChI=1S/C6H6IN2O5P/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
TVCYUAYYELQFFL-UPHRSURJSA-N
Compound name
[(Z)-2-(5-iodo-2,4-dioxopyrimidin-1-yl)ethenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.9059 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.91318 158.8
[M+Na]+ 366.89512 161.5
[M-H]- 342.89862 149.1
[M+NH4]+ 361.93972 167.9
[M+K]+ 382.86906 163.9
[M+H-H2O]+ 326.90316 146.9
[M+HCOO]- 388.90410 176.7
[M+CH3COO]- 402.91975 189.1
[M+Na-2H]- 364.88057 149.5
[M]+ 343.90535 156.3
[M]- 343.90645 156.3
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.