CID 11666677

6-chloro-3-iodochromone

Structural Information

Molecular Formula

C₉H₄ClIO₂

SMILES

C1=CC2=C(C=C1Cl)C(=O)C(=CO2)I

InChI

InChI=1S/C9H4ClIO2/c10-5-1-2-8-6(3-5)9(12)7(11)4-13-8/h1-4H

InChIKey

GMONZFZWCHBAKU-UHFFFAOYSA-N

Compound name

6-chloro-3-iodochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 305.89444 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]+	306.90172	138.9
[M+Na]+	328.88366	144.1
[M-H]-	304.88716	137.8
[M+NH4]+	323.92826	154.5
[M+K]+	344.85760	146.8
[M+H-H2O]+	288.89170	130.6
[M+HCOO]-	350.89264	153.4
[M+CH3COO]-	364.90829	190.6
[M+Na-2H]-	326.86911	136.5
[M]+	305.89389	140.9
[M]-	305.89499	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe