CID 13953829

76301-90-1

Structural Information

Molecular Formula

C₁₀H₉ClO₂

SMILES

CC1=CC(=CC2=C1OCCC2=O)Cl

InChI

InChI=1S/C10H9ClO2/c1-6-4-7(11)5-8-9(12)2-3-13-10(6)8/h4-5H,2-3H2,1H3

InChIKey

WCTQTQFZRIHBON-UHFFFAOYSA-N

Compound name

6-chloro-8-methyl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 196.02911 Da
Monoisotopic Mass: 2.4
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]+	197.03639	135.6
[M+Na]+	219.01833	151.1
[M+NH4]+	214.06293	145.8
[M+K]+	234.99227	143.7
[M-H]-	195.02183	140.2
[M+Na-2H]-	217.00378	142.1
[M]+	196.02856	139.6
[M]-	196.02966	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe