CID 53399218

5-bromo-3-nitro-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C7H4BrN3O2
SMILES
C1=C(C=NC2=C1C(=CN2)[N+](=O)[O-])Br
InChI
InChI=1S/C7H4BrN3O2/c8-4-1-5-6(11(12)13)3-10-7(5)9-2-4/h1-3H,(H,9,10)
InChIKey
GHHWPSOGKLMSCJ-UHFFFAOYSA-N
Compound name
5-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

240.94868 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.95596 140.0
[M+Na]+ 263.93790 153.3
[M-H]- 239.94140 144.6
[M+NH4]+ 258.98250 160.3
[M+K]+ 279.91184 138.1
[M+H-H2O]+ 223.94594 143.7
[M+HCOO]- 285.94688 162.0
[M+CH3COO]- 299.96253 179.5
[M+Na-2H]- 261.92335 151.2
[M]+ 240.94813 158.1
[M]- 240.94923 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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