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

42
Patents

152.01413 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02141 125.2
[M+Na]+ 175.00335 137.3
[M-H]- 151.00685 126.3
[M+NH4]+ 170.04795 147.0
[M+K]+ 190.97729 132.1
[M+H-H2O]+ 135.01139 119.3
[M+HCOO]- 197.01233 143.7
[M+CH3COO]- 211.02798 139.7
[M+Na-2H]- 172.98880 134.4
[M]+ 152.01358 126.8
[M]- 152.01468 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