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 148.6
[M+Na]+ 256.08680 157.4
[M+NH4]+ 251.13140 152.5
[M+K]+ 272.06074 152.9
[M-H]- 232.09030 145.1
[M+Na-2H]- 254.07225 151.7
[M]+ 233.09703 148.2
[M]- 233.09813 148.2
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.