CID 24777942

864226-30-2

Structural Information

Molecular Formula

C₁₀H₇ClN₂O

SMILES

C1CC2=C(C=C(C(=N2)Cl)C#N)C(=O)C1

InChI

InChI=1S/C10H7ClN2O/c11-10-6(5-12)4-7-8(13-10)2-1-3-9(7)14/h4H,1-3H2

InChIKey

QCJHTNHNYABOAL-UHFFFAOYSA-N

Compound name

2-chloro-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 206.02469 Da
Monoisotopic Mass: 1.7
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]+	207.03197	141.0
[M+Na]+	229.01391	153.5
[M-H]-	205.01741	143.6
[M+NH4]+	224.05851	158.9
[M+K]+	244.98785	146.8
[M+H-H2O]+	189.02195	129.1
[M+HCOO]-	251.02289	153.9
[M+CH3COO]-	265.03854	152.8
[M+Na-2H]-	226.99936	146.9
[M]+	206.02414	136.4
[M]-	206.02524	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe