CID 66545160

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

Structural Information

Molecular Formula
C7H5BrClN3
SMILES
CN1C=C(C2=C1N=CN=C2Cl)Br
InChI
InChI=1S/C7H5BrClN3/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3
InChIKey
QGPYXNYRUAFOHC-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

244.93555 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.94283 144.6
[M+Na]+ 267.92477 151.0
[M+NH4]+ 262.96937 149.9
[M+K]+ 283.89871 151.0
[M-H]- 243.92827 144.5
[M+Na-2H]- 265.91022 148.4
[M]+ 244.93500 144.6
[M]- 244.93610 144.6
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