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]+ 239.06267 146.4
[M+Na]+ 261.04461 158.2
[M-H]- 237.04811 147.6
[M+NH4]+ 256.08921 161.1
[M+K]+ 277.01855 152.6
[M+H-H2O]+ 221.05265 136.6
[M+HCOO]- 283.05359 166.2
[M+CH3COO]- 297.06924 188.5
[M+Na-2H]- 259.03006 151.4
[M]+ 238.05484 144.4
[M]- 238.05594 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.