CID 124956

Tegadifur

Structural Information

Molecular Formula
C12H15FN2O4
SMILES
C1CC(OC1)N2C=C(C(=O)N(C2=O)C3CCCO3)F
InChI
InChI=1S/C12H15FN2O4/c13-8-7-14(9-3-1-5-18-9)12(17)15(11(8)16)10-4-2-6-19-10/h7,9-10H,1-6H2
InChIKey
FLMBDTNCANYTCP-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

137
Patents

270.1016 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10888 155.5
[M+Na]+ 293.09082 164.1
[M-H]- 269.09432 163.1
[M+NH4]+ 288.13542 169.9
[M+K]+ 309.06476 163.4
[M+H-H2O]+ 253.09886 147.5
[M+HCOO]- 315.09980 173.3
[M+CH3COO]- 329.11545 167.9
[M+Na-2H]- 291.07627 155.4
[M]+ 270.10105 154.4
[M]- 270.10215 154.4
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