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

636
Patents

183.96361 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.97089 129.2
[M+Na]+ 206.95283 134.0
[M+NH4]+ 201.99743 134.1
[M+K]+ 222.92677 133.4
[M-H]- 182.95633 129.2
[M+Na-2H]- 204.93828 134.0
[M]+ 183.96306 128.7
[M]- 183.96416 128.7
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