CID 688297

69304-49-0

Structural Information

Molecular Formula
C6H5BrN2O2
SMILES
C1=C(C(=O)NC(=O)N1)/C=C/Br
InChI
InChI=1S/C6H5BrN2O2/c7-2-1-4-3-8-6(11)9-5(4)10/h1-3H,(H2,8,9,10,11)/b2-1+
InChIKey
BLXGZIDBSXVMLU-OWOJBTEDSA-N
Compound name
5-[(E)-2-bromoethenyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

2186
Patents

215.95345 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.960726 130.7
[M+Na]+ 238.942668 144.2
[M-H]- 214.946174 132.6
[M+NH4]+ 233.987273 149.4
[M+K]+ 254.916608 131.1
[M+H-H2O]+ 198.950710 130.6
[M+HCOO]- 260.951651 149.4
[M+CH3COO]- 274.967301 176.7
[M+Na-2H]- 236.928116 139.3
[M]+ 215.95290142 147.1
[M]- 215.95399858 147.1
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

patents stripe