CID 10933591

5-bromo-6-chloromethyluracil

Structural Information

Molecular Formula
C5H4BrClN2O2
SMILES
C(C1=C(C(=O)NC(=O)N1)Br)Cl
InChI
InChI=1S/C5H4BrClN2O2/c6-3-2(1-7)8-5(11)9-4(3)10/h1H2,(H2,8,9,10,11)
InChIKey
UWWZGJCOEQUIHN-UHFFFAOYSA-N
Compound name
5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

237.91447 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.92175 130.8
[M+Na]+ 260.90369 146.0
[M-H]- 236.90719 133.0
[M+NH4]+ 255.94829 149.8
[M+K]+ 276.87763 131.9
[M+H-H2O]+ 220.91173 131.7
[M+HCOO]- 282.91267 145.2
[M+CH3COO]- 296.92832 180.1
[M+Na-2H]- 258.88914 139.0
[M]+ 237.91392 149.6
[M]- 237.91502 149.6
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

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