CID 373128

5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C7H3F7N2O2
SMILES
C1=C(C(=O)NC(=O)N1)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C7H3F7N2O2/c8-5(6(9,10)11,7(12,13)14)2-1-15-4(18)16-3(2)17/h1H,(H2,15,16,17,18)
InChIKey
RUKXKUXHBRQYLK-UHFFFAOYSA-N
Compound name
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

280.00827 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.01555 149.7
[M+Na]+ 302.99749 160.9
[M-H]- 279.00099 140.2
[M+NH4]+ 298.04209 161.6
[M+K]+ 318.97143 155.6
[M+H-H2O]+ 263.00553 138.5
[M+HCOO]- 325.00647 157.6
[M+CH3COO]- 339.02212 190.4
[M+Na-2H]- 300.98294 154.8
[M]+ 280.00772 137.6
[M]- 280.00882 137.6
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.