CID 26076400

6-chloro-1h-pyrrolo[3,2-b]pyridine

Structural Information

Molecular Formula
C7H5ClN2
SMILES
C1=CNC2=C1N=CC(=C2)Cl
InChI
InChI=1S/C7H5ClN2/c8-5-3-7-6(10-4-5)1-2-9-7/h1-4,9H
InChIKey
UWROBKHIEKWFAJ-UHFFFAOYSA-N
Compound name
6-chloro-1H-pyrrolo[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

152.01413 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.021406 125.2
[M+Na]+ 175.003348 137.3
[M-H]- 151.006854 126.3
[M+NH4]+ 170.047953 147.0
[M+K]+ 190.977288 132.1
[M+H-H2O]+ 135.011390 119.3
[M+HCOO]- 197.012331 143.7
[M+CH3COO]- 211.027981 139.7
[M+Na-2H]- 172.988796 134.4
[M]+ 152.01358142 126.8
[M]- 152.01467858 126.8
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

patents stripe