CID 14221027

99465-03-9

Structural Information

Molecular Formula

C₁₀H₅BrN₂O

SMILES

C1=CC2=C(C=C1Br)C=C(C(=O)N2)C#N

InChI

InChI=1S/C10H5BrN2O/c11-8-1-2-9-6(4-8)3-7(5-12)10(14)13-9/h1-4H,(H,13,14)

InChIKey

SYGLDUUIMYLBGH-UHFFFAOYSA-N

Compound name

6-bromo-2-oxo-1H-quinoline-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 247.95853 Da
Monoisotopic Mass: 2.0
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]+	248.96581	142.5
[M+Na]+	270.94775	157.9
[M-H]-	246.95125	145.6
[M+NH4]+	265.99235	160.7
[M+K]+	286.92169	144.1
[M+H-H2O]+	230.95579	135.7
[M+HCOO]-	292.95673	160.6
[M+CH3COO]-	306.97238	155.8
[M+Na-2H]-	268.93320	150.7
[M]+	247.95798	153.8
[M]-	247.95908	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe