CID 40148038

5-bromo-2-ethynylpyrimidine

Structural Information

Molecular Formula
C6H3BrN2
SMILES
C#CC1=NC=C(C=N1)Br
InChI
InChI=1S/C6H3BrN2/c1-2-6-8-3-5(7)4-9-6/h1,3-4H
InChIKey
ZHOLVGVOMDUCDY-UHFFFAOYSA-N
Compound name
5-bromo-2-ethynylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.94797 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.95525 130.3
[M+Na]+ 204.93719 135.6
[M+NH4]+ 199.98179 132.5
[M+K]+ 220.91113 132.1
[M-H]- 180.94069 123.7
[M+Na-2H]- 202.92264 132.7
[M]+ 181.94742 127.5
[M]- 181.94852 127.5
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

No patent data available for this compound.