CID 688297

(e)-5-(2-bromovinyl)uracil

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

2545
Patents

215.95345 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96073 136.2
[M+Na]+ 238.94267 139.5
[M+NH4]+ 233.98727 139.0
[M+K]+ 254.91661 140.3
[M-H]- 214.94617 134.0
[M+Na-2H]- 236.92812 138.5
[M]+ 215.95290 134.6
[M]- 215.95400 134.6
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

patents stripe