CID 54685558

197504-51-1

Structural Information

Molecular Formula

C₁₀H₇ClO₃

SMILES

CC1=C(C2=C(C=CC(=C2)Cl)OC1=O)O

InChI

InChI=1S/C10H7ClO3/c1-5-9(12)7-4-6(11)2-3-8(7)14-10(5)13/h2-4,12H,1H3

InChIKey

MXIUFZMCZDNDJG-UHFFFAOYSA-N

Compound name

6-chloro-4-hydroxy-3-methylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 210.00838 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]+	211.01566	136.9
[M+Na]+	232.99760	153.6
[M+NH4]+	228.04220	146.2
[M+K]+	248.97154	146.7
[M-H]-	209.00110	140.9
[M+Na-2H]-	230.98305	143.8
[M]+	210.00783	140.9
[M]-	210.00893	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe