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

637
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 125.3
[M+Na]+ 206.95283 138.5
[M-H]- 182.95633 129.5
[M+NH4]+ 201.99743 146.5
[M+K]+ 222.92677 127.6
[M+H-H2O]+ 166.96087 125.2
[M+HCOO]- 228.96181 146.2
[M+CH3COO]- 242.97746 178.8
[M+Na-2H]- 204.93828 135.9
[M]+ 183.96306 143.7
[M]- 183.96416 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