CID 11131320

58671-28-6

Structural Information

Molecular Formula
C8H3F9N2O2
SMILES
C1=C(C(=O)NC(=O)N1)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H3F9N2O2/c9-5(10,2-1-18-4(21)19-3(2)20)6(11,12)7(13,14)8(15,16)17/h1H,(H2,18,19,20,21)
InChIKey
RXUXOXUTRBXSOE-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

330.00507 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.01235 160.0
[M+Na]+ 352.99429 171.1
[M-H]- 328.99779 148.3
[M+NH4]+ 348.03889 169.6
[M+K]+ 368.96823 165.3
[M+H-H2O]+ 313.00233 147.4
[M+HCOO]- 375.00327 163.8
[M+CH3COO]- 389.01892 200.6
[M+Na-2H]- 350.97974 164.5
[M]+ 330.00452 144.9
[M]- 330.00562 144.9
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