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

6378
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 118.0
[M+Na]+ 180.93719 130.8
[M-H]- 156.94069 122.1
[M+NH4]+ 175.98179 140.0
[M+K]+ 196.91113 121.1
[M+H-H2O]+ 140.94523 118.0
[M+HCOO]- 202.94617 139.4
[M+CH3COO]- 216.96182 173.0
[M+Na-2H]- 178.92264 130.3
[M]+ 157.94742 136.0
[M]- 157.94852 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.