CID 204602

Uracil, 5-((bis(2-fluoroethyl)amino)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C9H13F2N3O2
SMILES
C1=C(C(=O)NC(=O)N1)CN(CCF)CCF
InChI
InChI=1S/C9H13F2N3O2/c10-1-3-14(4-2-11)6-7-5-12-9(16)13-8(7)15/h5H,1-4,6H2,(H2,12,13,15,16)
InChIKey
LUXFBGHTNAWDJA-UHFFFAOYSA-N
Compound name
5-[[bis(2-fluoroethyl)amino]methyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.09758 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10486 146.9
[M+Na]+ 256.08680 155.2
[M-H]- 232.09030 144.0
[M+NH4]+ 251.13140 161.2
[M+K]+ 272.06074 151.3
[M+H-H2O]+ 216.09484 137.5
[M+HCOO]- 278.09578 166.0
[M+CH3COO]- 292.11143 190.1
[M+Na-2H]- 254.07225 151.1
[M]+ 233.09703 144.5
[M]- 233.09813 144.5
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.