CID 907442

41295-65-2

Structural Information

Molecular Formula

C₁₁H₉ClO₂

SMILES

CC1=CC2=C(C=C1)OC(=O)C=C2CCl

InChI

InChI=1S/C11H9ClO2/c1-7-2-3-10-9(4-7)8(6-12)5-11(13)14-10/h2-5H,6H2,1H3

InChIKey

SPXMXBBTSABPSK-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-6-methylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 208.02911 Da
Monoisotopic Mass: 2.2
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]+	209.03639	138.0
[M+Na]+	231.01833	155.2
[M+NH4]+	226.06293	148.1
[M+K]+	246.99227	147.0
[M-H]-	207.02183	143.0
[M+Na-2H]-	229.00378	146.0
[M]+	208.02856	142.4
[M]-	208.02966	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe