CID 53628664

5-bromo-2-vinylpyrimidine

Structural Information

Molecular Formula
C6H5BrN2
SMILES
C=CC1=NC=C(C=N1)Br
InChI
InChI=1S/C6H5BrN2/c1-2-6-8-3-5(7)4-9-6/h2-4H,1H2
InChIKey
LZGICTBSBIWVFA-UHFFFAOYSA-N
Compound name
5-bromo-2-ethenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

474
Patents

183.96361 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.970886 125.3
[M+Na]+ 206.952828 138.5
[M-H]- 182.956334 129.5
[M+NH4]+ 201.997433 146.5
[M+K]+ 222.926768 127.6
[M+H-H2O]+ 166.960870 125.2
[M+HCOO]- 228.961811 146.2
[M+CH3COO]- 242.977461 178.8
[M+Na-2H]- 204.938276 135.9
[M]+ 183.96306142 143.7
[M]- 183.96415858 143.7
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

patents stripe