CID 23260885

4-bromo-7h-pyrrolo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C6H4BrN3
SMILES
C1=CNC2=C1C(=NC=N2)Br
InChI
InChI=1S/C6H4BrN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)
InChIKey
ZFGUUMUJFWDZAB-UHFFFAOYSA-N
Compound name
4-bromo-7H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

196.95886 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.966136 128.8
[M+Na]+ 219.948078 143.6
[M-H]- 195.951584 131.9
[M+NH4]+ 214.992683 150.4
[M+K]+ 235.922018 132.1
[M+H-H2O]+ 179.956120 128.6
[M+HCOO]- 241.957061 149.0
[M+CH3COO]- 255.972711 144.7
[M+Na-2H]- 217.933526 139.9
[M]+ 196.95831142 147.5
[M]- 196.95940858 147.5
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

patents stripe