CID 5638

5,6-dihydro-5-(trifluoromethyl)uracil

Structural Information

Molecular Formula
C5H5F3N2O2
SMILES
C1C(C(=O)NC(=O)N1)C(F)(F)F
InChI
InChI=1S/C5H5F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h2H,1H2,(H2,9,10,11,12)
InChIKey
ACYJXCFDMOGNSM-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

182.03032 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03760 133.9
[M+Na]+ 205.01954 142.1
[M-H]- 181.02304 128.1
[M+NH4]+ 200.06414 149.7
[M+K]+ 220.99348 138.7
[M+H-H2O]+ 165.02758 125.7
[M+HCOO]- 227.02852 145.8
[M+CH3COO]- 241.04417 173.1
[M+Na-2H]- 203.00499 137.7
[M]+ 182.02977 123.4
[M]- 182.03087 123.4
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