CID 137244871

1563532-36-4

Structural Information

Molecular Formula
C4H2BrClN2O
SMILES
C1=C(N=C(NC1=O)Cl)Br
InChI
InChI=1S/C4H2BrClN2O/c5-2-1-3(9)8-4(6)7-2/h1H,(H,7,8,9)
InChIKey
FESKMMZBPCLQHE-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.9039 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.911176 124.1
[M+Na]+ 230.893118 139.3
[M-H]- 206.896624 127.4
[M+NH4]+ 225.937723 144.8
[M+K]+ 246.867058 126.4
[M+H-H2O]+ 190.901160 125.0
[M+HCOO]- 252.902101 139.9
[M+CH3COO]- 266.917751 177.3
[M+Na-2H]- 228.878566 134.1
[M]+ 207.90335142 143.3
[M]- 207.90444858 143.3
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.