CID 4340200

3,5-diethoxybenzoyl chloride

Structural Information

Molecular Formula

C₁₁H₁₃ClO₃

SMILES

CCOC1=CC(=CC(=C1)C(=O)Cl)OCC

InChI

InChI=1S/C11H13ClO3/c1-3-14-9-5-8(11(12)13)6-10(7-9)15-4-2/h5-7H,3-4H2,1-2H3

InChIKey

JHDNGEJBXLHONS-UHFFFAOYSA-N

Compound name

3,5-diethoxybenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 228.05533 Da
Monoisotopic Mass: 3.1
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]+	229.06261	146.1
[M+Na]+	251.04455	159.5
[M+NH4]+	246.08915	154.2
[M+K]+	267.01849	152.9
[M-H]-	227.04805	147.6
[M+Na-2H]-	249.03000	152.3
[M]+	228.05478	148.7
[M]-	228.05588	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe