CID 2432593

54173-36-3

Structural Information

Molecular Formula

C₁₀H₁₁ClO₃

SMILES

CC(=O)C1=CC(=C(C=C1OC)OC)Cl

InChI

InChI=1S/C10H11ClO3/c1-6(12)7-4-8(11)10(14-3)5-9(7)13-2/h4-5H,1-3H3

InChIKey

PGJNIQOOMMZXFU-UHFFFAOYSA-N

Compound name

1-(5-chloro-2,4-dimethoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 214.03967 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]+	215.04695	141.1
[M+Na]+	237.02889	155.2
[M+NH4]+	232.07349	149.4
[M+K]+	253.00283	149.0
[M-H]-	213.03239	142.8
[M+Na-2H]-	235.01434	147.4
[M]+	214.03912	143.9
[M]-	214.04022	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe