CID 53399461

1082040-97-8

Structural Information

Molecular Formula
C8H4ClN3
SMILES
C1=CNC2=C1C(=NC=C2Cl)C#N
InChI
InChI=1S/C8H4ClN3/c9-6-4-12-7(3-10)5-1-2-11-8(5)6/h1-2,4,11H
InChIKey
PHKAKWAUMDGXQD-UHFFFAOYSA-N
Compound name
7-chloro-1H-pyrrolo[3,2-c]pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.