CID 58086096

5-(4-chlorophenyl)-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C13H9ClN2
SMILES
C1=CC(=CC=C1C2=CN=C3C(=C2)C=CN3)Cl
InChI
InChI=1S/C13H9ClN2/c14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11/h1-8H,(H,15,16)
InChIKey
AIRHBAXIGSQPNX-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

228.04543 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05271 147.0
[M+Na]+ 251.03465 158.9
[M-H]- 227.03815 151.3
[M+NH4]+ 246.07925 165.6
[M+K]+ 267.00859 151.4
[M+H-H2O]+ 211.04269 139.4
[M+HCOO]- 273.04363 164.9
[M+CH3COO]- 287.05928 160.3
[M+Na-2H]- 249.02010 154.4
[M]+ 228.04488 148.8
[M]- 228.04598 148.8
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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