CID 78344

5-bromopyrimidine

Structural Information

Molecular Formula
C4H3BrN2
SMILES
C1=C(C=NC=N1)Br
InChI
InChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H
InChIKey
GYCPLYCTMDTEPU-UHFFFAOYSA-N
Compound name
5-bromopyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

5438
Patents

157.94797 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.95525 121.7
[M+Na]+ 180.93719 126.4
[M+NH4]+ 175.98179 127.1
[M+K]+ 196.91113 126.2
[M-H]- 156.94069 121.9
[M+Na-2H]- 178.92264 127.3
[M]+ 157.94742 121.2
[M]- 157.94852 121.2
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