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
3
Annotation Hits

8
References

6401
Patents

157.94797 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.955246 118.0
[M+Na]+ 180.937188 130.8
[M-H]- 156.940694 122.1
[M+NH4]+ 175.981793 140.0
[M+K]+ 196.911128 121.1
[M+H-H2O]+ 140.945230 118.0
[M+HCOO]- 202.946171 139.4
[M+CH3COO]- 216.961821 173.0
[M+Na-2H]- 178.922636 130.3
[M]+ 157.94742142 136.0
[M]- 157.94851858 136.0
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