CID 3069739

85093-33-0

Structural Information

Molecular Formula
C11H8ClFN2O2
SMILES
C1=CC(=CC=C1CN2C=C(C(=O)NC2=O)F)Cl
InChI
InChI=1S/C11H8ClFN2O2/c12-8-3-1-7(2-4-8)5-15-6-9(13)10(16)14-11(15)17/h1-4,6H,5H2,(H,14,16,17)
InChIKey
FWLNZTGNVCRKCU-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.02583 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03311 148.5
[M+Na]+ 277.01505 161.0
[M-H]- 253.01855 150.9
[M+NH4]+ 272.05965 163.5
[M+K]+ 292.98899 154.2
[M+H-H2O]+ 237.02309 140.2
[M+HCOO]- 299.02403 164.8
[M+CH3COO]- 313.03968 189.5
[M+Na-2H]- 275.00050 153.8
[M]+ 254.02528 149.7
[M]- 254.02638 149.7
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.