CID 5159332

22406-36-6

Structural Information

Molecular Formula

C₉H₆Cl₂O₂

SMILES

C1COC2=C(C=CC(=C2C1=O)Cl)Cl

InChI

InChI=1S/C9H6Cl2O2/c10-5-1-2-6(11)9-8(5)7(12)3-4-13-9/h1-2H,3-4H2

InChIKey

LYBJCESWEFSPNO-UHFFFAOYSA-N

Compound name

5,8-dichloro-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 215.97449 Da
Monoisotopic Mass: 2.6
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]+	216.98177	138.1
[M+Na]+	238.96371	149.2
[M-H]-	214.96721	143.0
[M+NH4]+	234.00831	158.3
[M+K]+	254.93765	145.3
[M+H-H2O]+	198.97175	134.5
[M+HCOO]-	260.97269	149.8
[M+CH3COO]-	274.98834	184.6
[M+Na-2H]-	236.94916	145.2
[M]+	215.97394	141.1
[M]-	215.97504	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe