CID 563429

1-benzyl-5-fluorouracil

Structural Information

Molecular Formula
C11H9FN2O2
SMILES
C1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C11H9FN2O2/c12-9-7-14(11(16)13-10(9)15)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15,16)
InChIKey
DOLBESUBPIZBQY-UHFFFAOYSA-N
Compound name
1-benzyl-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

220.0648 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.072076 143.6
[M+Na]+ 243.054018 154.5
[M-H]- 219.057524 145.8
[M+NH4]+ 238.098623 158.8
[M+K]+ 259.027958 149.3
[M+H-H2O]+ 203.062060 134.6
[M+HCOO]- 265.063001 164.5
[M+CH3COO]- 279.078651 184.5
[M+Na-2H]- 241.039466 150.0
[M]+ 220.06425142 142.3
[M]- 220.06534858 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe