CID 2437243

554423-21-1

Structural Information

Molecular Formula

C₁₂H₁₁ClO₂

SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CCl

InChI

InChI=1S/C12H11ClO2/c1-2-8-3-4-10-9(7-13)6-12(14)15-11(10)5-8/h3-6H,2,7H2,1H3

InChIKey

MXSFELXUKWXHOZ-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-7-ethylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 222.04475 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]+	223.052026	143.2
[M+Na]+	245.033968	154.8
[M-H]-	221.037474	149.1
[M+NH4]+	240.078573	163.0
[M+K]+	261.007908	151.1
[M+H-H2O]+	205.042010	138.2
[M+HCOO]-	267.042951	161.9
[M+CH3COO]-	281.058601	188.3
[M+Na-2H]-	243.019416	151.4
[M]+	222.04420142	149.1
[M]-	222.04529858	149.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.