CID 5287830

6-bromopurine

Structural Information

Molecular Formula
C5H3BrN4
SMILES
C1=NC2=C(N1)C(=NC=N2)Br
InChI
InChI=1S/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
InChIKey
CTGFGRDVWBZYNB-UHFFFAOYSA-N
Compound name
6-bromo-7H-purine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

514
Patents

197.95412 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.96140 135.6
[M+Na]+ 220.94334 140.2
[M+NH4]+ 215.98794 139.9
[M+K]+ 236.91728 141.7
[M-H]- 196.94684 134.2
[M+Na-2H]- 218.92879 139.3
[M]+ 197.95357 134.6
[M]- 197.95467 134.6
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