CID 2063410

5-(heptafluoropropyl)-6-methylpyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C8H5F7N2O2
SMILES
CC1=C(C(=O)NC(=O)N1)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F7N2O2/c1-2-3(4(18)17-5(19)16-2)6(9,10)7(11,12)8(13,14)15/h1H3,(H2,16,17,18,19)
InChIKey
JHRCIENNXYHXBC-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

294.02393 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.03121 154.1
[M+Na]+ 317.01315 165.7
[M-H]- 293.01665 144.8
[M+NH4]+ 312.05775 165.7
[M+K]+ 332.98709 160.1
[M+H-H2O]+ 277.02119 142.9
[M+HCOO]- 339.02213 161.6
[M+CH3COO]- 353.03778 195.2
[M+Na-2H]- 314.99860 158.0
[M]+ 294.02338 142.8
[M]- 294.02448 142.8
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

patents stripe