CID 129779164

6-chloro-1h-pyrrolo[3,2-c]pyridine-7-carbonitrile

Structural Information

Molecular Formula
C8H4ClN3
SMILES
C1=CNC2=C(C(=NC=C21)Cl)C#N
InChI
InChI=1S/C8H4ClN3/c9-8-6(3-10)7-5(4-12-8)1-2-11-7/h1-2,4,11H
InChIKey
KHNWWGCJAYCPJU-UHFFFAOYSA-N
Compound name
6-chloro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
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References

0
Patents

177.00937 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.01665 134.0
[M+Na]+ 199.99859 148.5
[M+NH4]+ 195.04319 139.7
[M+K]+ 215.97253 139.7
[M-H]- 176.00209 128.2
[M+Na-2H]- 197.98404 138.7
[M]+ 177.00882 133.9
[M]- 177.00992 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.