CID 12446887

(2-chlorophenoxy)acetyl chloride

Structural Information

Molecular Formula

C₈H₆Cl₂O₂

SMILES

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

InChI

InChI=1S/C8H6Cl2O2/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2

InChIKey

IKODIMKOCSGKHQ-UHFFFAOYSA-N

Compound name

2-(2-chlorophenoxy)acetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 203.97449 Da
Monoisotopic Mass: 2.8
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]+	204.98177	135.0
[M+Na]+	226.96371	144.9
[M-H]-	202.96721	138.3
[M+NH4]+	222.00831	155.4
[M+K]+	242.93765	140.6
[M+H-H2O]+	186.97175	131.3
[M+HCOO]-	248.97269	149.9
[M+CH3COO]-	262.98834	182.1
[M+Na-2H]-	224.94916	140.8
[M]+	203.97394	139.5
[M]-	203.97504	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe