CID 88769

21062-20-4

Structural Information

Molecular Formula

C₄H₄Cl₂O₃

SMILES

C(C(=O)Cl)OCC(=O)Cl

InChI

InChI=1S/C4H4Cl2O3/c5-3(7)1-9-2-4(6)8/h1-2H2

InChIKey

GTZXSBQCNBNWPK-UHFFFAOYSA-N

Compound name

2-(2-chloro-2-oxoethoxy)acetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 555
Patents: 169.95375 Da
Monoisotopic Mass: 1.2
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]+	170.96103	125.0
[M+Na]+	192.94297	134.3
[M-H]-	168.94647	125.2
[M+NH4]+	187.98757	146.6
[M+K]+	208.91691	131.8
[M+H-H2O]+	152.95101	122.9
[M+HCOO]-	214.95195	139.2
[M+CH3COO]-	228.96760	175.8
[M+Na-2H]-	190.92842	129.9
[M]+	169.95320	129.9
[M]-	169.95430	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe