CID 911504

85093-32-9

Structural Information

Molecular Formula
C11H8F2N2O2
SMILES
C1=CC(=CC=C1CN2C=C(C(=O)NC2=O)F)F
InChI
InChI=1S/C11H8F2N2O2/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
NRKLRLVHPYUIAT-UHFFFAOYSA-N
Compound name
5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.05539 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.062666 146.4
[M+Na]+ 261.044608 158.2
[M-H]- 237.048114 147.6
[M+NH4]+ 256.089213 161.1
[M+K]+ 277.018548 152.6
[M+H-H2O]+ 221.052650 136.6
[M+HCOO]- 283.053591 166.2
[M+CH3COO]- 297.069241 188.5
[M+Na-2H]- 259.030056 151.4
[M]+ 238.05484142 144.4
[M]- 238.05593858 144.4
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.