CID 344120

652-43-7

Structural Information

Molecular Formula
C5H2F3N3O4
SMILES
C1(=C(NC(=O)NC1=O)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C5H2F3N3O4/c6-5(7,8)2-1(11(14)15)3(12)10-4(13)9-2/h(H2,9,10,12,13)
InChIKey
BOZXEOUYOAGQOK-UHFFFAOYSA-N
Compound name
5-nitro-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

224.99974 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.00702 133.4
[M+Na]+ 247.98896 144.1
[M-H]- 223.99246 129.4
[M+NH4]+ 243.03356 147.2
[M+K]+ 263.96290 136.2
[M+H-H2O]+ 207.99700 129.7
[M+HCOO]- 269.99794 151.0
[M+CH3COO]- 284.01359 174.0
[M+Na-2H]- 245.97441 142.0
[M]+ 224.99919 126.4
[M]- 225.00029 126.4
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

patents stripe