CID 129981795

7-bromo-4-chloro-6-methyl-5h-pyrrolo[3,2-d]pyrimidine

Structural Information

Molecular Formula
C7H5BrClN3
SMILES
CC1=C(C2=C(N1)C(=NC=N2)Cl)Br
InChI
InChI=1S/C7H5BrClN3/c1-3-4(8)5-6(12-3)7(9)11-2-10-5/h2,12H,1H3
InChIKey
BWRXYAXWPNRMPW-UHFFFAOYSA-N
Compound name
7-bromo-4-chloro-6-methyl-5H-pyrrolo[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.93555 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.94283 138.3
[M+Na]+ 267.92477 155.2
[M-H]- 243.92827 141.6
[M+NH4]+ 262.96937 159.4
[M+K]+ 283.89871 141.6
[M+H-H2O]+ 227.93281 138.5
[M+HCOO]- 289.93375 153.5
[M+CH3COO]- 303.94940 154.0
[M+Na-2H]- 265.91022 147.0
[M]+ 244.93500 159.6
[M]- 244.93610 159.6
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.

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No patent data available for this compound.