CID 17750576

857762-32-4

Structural Information

Molecular Formula

SMILES

C1=CC2=C(C=C1Br)C(=O)C(=CN2)Cl

InChI

InChI=1S/C9H5BrClNO/c10-5-1-2-8-6(3-5)9(13)7(11)4-12-8/h1-4H,(H,12,13)

InChIKey

ORSLKTUFMAGGIL-UHFFFAOYSA-N

Compound name

6-bromo-3-chloro-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 256.9243 Da
Monoisotopic Mass: 3.1
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]+	257.93158	140.0
[M+Na]+	279.91352	155.2
[M-H]-	255.91702	145.4
[M+NH4]+	274.95812	161.2
[M+K]+	295.88746	141.3
[M+H-H2O]+	239.92156	141.2
[M+HCOO]-	301.92250	155.3
[M+CH3COO]-	315.93815	155.6
[M+Na-2H]-	277.89897	149.5
[M]+	256.92375	159.9
[M]-	256.92485	159.9

Literature stripe

literature stripe

Patent stripe

patents stripe