CID 201280

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

Structural Information

Molecular Formula
C9H13ClFN3O2
SMILES
C1=C(C(=O)NC(=O)N1)CN(CCF)CCCl
InChI
InChI=1S/C9H13ClFN3O2/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
FWRUGGMIVWREHQ-UHFFFAOYSA-N
Compound name
5-[[2-chloroethyl(2-fluoroethyl)amino]methyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.06804 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07532 149.2
[M+Na]+ 272.05726 158.1
[M-H]- 248.06076 147.5
[M+NH4]+ 267.10186 163.8
[M+K]+ 288.03120 152.9
[M+H-H2O]+ 232.06530 141.5
[M+HCOO]- 294.06624 164.8
[M+CH3COO]- 308.08189 191.2
[M+Na-2H]- 270.04271 153.7
[M]+ 249.06749 149.9
[M]- 249.06859 149.9
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

No patent data available for this compound.