CID 71443157

5912-15-2

Structural Information

Molecular Formula

C₇H₆Cl₂N₂

SMILES

C1CNC2=C1C(=CC(=N2)Cl)Cl

InChI

InChI=1S/C7H6Cl2N2/c8-5-3-6(9)11-7-4(5)1-2-10-7/h3H,1-2H2,(H,10,11)

InChIKey

RCSKSCCAAVNBAP-UHFFFAOYSA-N

Compound name

4,6-dichloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.9908 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	188.99808	133.0
[M+Na]+	210.98002	147.5
[M+NH4]+	206.02462	142.8
[M+K]+	226.95396	141.4
[M-H]-	186.98352	134.3
[M+Na-2H]-	208.96547	139.2
[M]+	187.99025	136.0
[M]-	187.99135	136.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.