CID 208334

Brn 0801557

Structural Information

Molecular Formula
C12H10BrClN2O2
SMILES
CC1=C(C(=O)N(C(=O)N1C2=CC=C(C=C2)Cl)C)Br
InChI
InChI=1S/C12H10BrClN2O2/c1-7-10(13)11(17)15(2)12(18)16(7)9-5-3-8(14)4-6-9/h3-6H,1-2H3
InChIKey
AGQRXQWWIXPGKL-UHFFFAOYSA-N
Compound name
5-bromo-1-(4-chlorophenyl)-3,6-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.96143 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.96871 154.8
[M+Na]+ 350.95065 171.5
[M-H]- 326.95415 162.9
[M+NH4]+ 345.99525 172.0
[M+K]+ 366.92459 157.8
[M+H-H2O]+ 310.95869 153.9
[M+HCOO]- 372.95963 171.0
[M+CH3COO]- 386.97528 203.8
[M+Na-2H]- 348.93610 160.6
[M]+ 327.96088 178.3
[M]- 327.96198 178.3
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.