CID 2777510

680210-85-9

Structural Information

Molecular Formula

C₁₀H₅ClN₂O

SMILES

C1=CC=C2C(=C1)C(=C(C(=O)N2)C#N)Cl

InChI

InChI=1S/C10H5ClN2O/c11-9-6-3-1-2-4-8(6)13-10(14)7(9)5-12/h1-4H,(H,13,14)

InChIKey

JWBMUCZTOBYSEM-UHFFFAOYSA-N

Compound name

4-chloro-2-oxo-1H-quinoline-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 80
Patents: 204.00903 Da
Monoisotopic Mass: 1.6
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]+	205.01631	140.6
[M+Na]+	226.99825	155.8
[M+NH4]+	222.04285	146.2
[M+K]+	242.97219	145.0
[M-H]-	203.00175	135.7
[M+Na-2H]-	224.98370	145.4
[M]+	204.00848	140.9
[M]-	204.00958	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe