CID 52987786

4-bromo-2-methyl-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C8H7BrN2
SMILES
CC1=CC2=C(C=CN=C2N1)Br
InChI
InChI=1S/C8H7BrN2/c1-5-4-6-7(9)2-3-10-8(6)11-5/h2-4H,1H3,(H,10,11)
InChIKey
UYYAREKUCOWVMO-UHFFFAOYSA-N
Compound name
4-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

209.97926 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98654 139.0
[M+Na]+ 232.96848 143.8
[M+NH4]+ 228.01308 144.3
[M+K]+ 248.94242 144.4
[M-H]- 208.97198 139.0
[M+Na-2H]- 230.95393 142.7
[M]+ 209.97871 138.5
[M]- 209.97981 138.5
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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