CID 12498503

860236-13-1

Structural Information

Molecular Formula

SMILES

C1=CC2=C(C=C1Cl)NC=C(C2=O)I

InChI

InChI=1S/C9H5ClINO/c10-5-1-2-6-8(3-5)12-4-7(11)9(6)13/h1-4H,(H,12,13)

InChIKey

POLASDJYPIWKKS-UHFFFAOYSA-N

Compound name

7-chloro-3-iodo-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 304.91043 Da
Monoisotopic Mass: 2.8
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]+	305.917706	137.6
[M+Na]+	327.899648	142.3
[M-H]-	303.903154	133.1
[M+NH4]+	322.944253	152.5
[M+K]+	343.873588	142.6
[M+H-H2O]+	287.907690	128.9
[M+HCOO]-	349.908631	150.2
[M+CH3COO]-	363.924281	147.3
[M+Na-2H]-	325.885096	134.2
[M]+	304.90988142	136.4
[M]-	304.91097858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe