CID 2437243

4-chloromethyl-7-ethyl-chromen-2-one

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]+	223.05203	142.7
[M+Na]+	245.03397	159.7
[M+NH4]+	240.07857	152.7
[M+K]+	261.00791	151.3
[M-H]-	221.03747	147.6
[M+Na-2H]-	243.01942	150.4
[M]+	222.04420	147.1
[M]-	222.04530	147.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.