CID 908367

41295-55-0

Structural Information

Molecular Formula

C₁₁H₉ClO₃

SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CCl

InChI

InChI=1S/C11H9ClO3/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5H,6H2,1H3

InChIKey

ISPBECDEFRIYTA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 224.02402 Da
Monoisotopic Mass: 2.3
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]+	225.03130	141.3
[M+Na]+	247.01324	153.2
[M-H]-	223.01674	147.5
[M+NH4]+	242.05784	161.0
[M+K]+	262.98718	150.4
[M+H-H2O]+	207.02128	136.3
[M+HCOO]-	269.02222	160.5
[M+CH3COO]-	283.03787	187.4
[M+Na-2H]-	244.99869	150.1
[M]+	224.02347	148.3
[M]-	224.02457	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe