CID 611372

15524-46-6

Structural Information

Molecular Formula

C₉H₆Cl₂N₂

SMILES

C1CC2=C(C1)C(=NC(=C2C#N)Cl)Cl

InChI

InChI=1S/C9H6Cl2N2/c10-8-6-3-1-2-5(6)7(4-12)9(11)13-8/h1-3H2

InChIKey

ZCRYHTATGWYSMB-UHFFFAOYSA-N

Compound name

1,3-dichloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 211.9908 Da
Monoisotopic Mass: 3.3
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]+	212.99808	138.6
[M+Na]+	234.98002	152.6
[M+NH4]+	230.02462	145.1
[M+K]+	250.95396	143.3
[M-H]-	210.98352	133.7
[M+Na-2H]-	232.96547	142.4
[M]+	211.99025	139.0
[M]-	211.99135	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe