CID 498587

Nsc631944

Structural Information

Molecular Formula
C11H9FHgN2O3
SMILES
COC1=CC=C(C=C1)[Hg]N2C(=O)C(=CNC2=O)F
InChI
InChI=1S/C7H7O.C4H3FN2O2.Hg/c1-8-7-5-3-2-4-6-7;5-2-1-6-4(9)7-3(2)8;/h3-6H,1H3;1H,(H2,6,7,8,9);/q;;+1/p-1
InChIKey
LSDVVNWHWXGVLP-UHFFFAOYSA-M
Compound name
(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-(4-methoxyphenyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.03036 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.03764 188.4
[M+Na]+ 461.01958 197.9
[M-H]- 437.02308 189.3
[M+NH4]+ 456.06418 200.4
[M+K]+ 476.99352 192.1
[M+H-H2O]+ 421.02762 177.0
[M+HCOO]- 483.02856 206.8
[M+CH3COO]- 497.04421 198.5
[M+Na-2H]- 459.00503 189.5
[M]+ 438.02981 189.1
[M]- 438.03091 189.1
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.