CID 3025417

102613-23-0

Structural Information

Molecular Formula
C12H10ClFN2O3
SMILES
COC1=C(C=C(C=C1)CN2C(=O)C(=CNC2=O)F)Cl
InChI
InChI=1S/C12H10ClFN2O3/c1-19-10-3-2-7(4-8(10)13)6-16-11(17)9(14)5-15-12(16)18/h2-5H,6H2,1H3,(H,15,18)
InChIKey
PNWPZGNCEFOQMM-UHFFFAOYSA-N
Compound name
3-[(3-chloro-4-methoxyphenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0364 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.04368 155.8
[M+Na]+ 307.02562 168.6
[M-H]- 283.02912 158.4
[M+NH4]+ 302.07022 169.8
[M+K]+ 322.99956 162.3
[M+H-H2O]+ 267.03366 147.4
[M+HCOO]- 329.03460 171.9
[M+CH3COO]- 343.05025 195.9
[M+Na-2H]- 305.01107 159.9
[M]+ 284.03585 159.2
[M]- 284.03695 159.2
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.