CID 555112

Chloromethyl 2-chloroacetate

Structural Information

Molecular Formula

C₃H₄Cl₂O₂

SMILES

C(C(=O)OCCl)Cl

InChI

InChI=1S/C3H4Cl2O2/c4-1-3(6)7-2-5/h1-2H2

InChIKey

RGXOOYDUNWUMTN-UHFFFAOYSA-N

Compound name

chloromethyl 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 141.95883 Da
Monoisotopic Mass: 1.3
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]+	142.966106	119.9
[M+Na]+	164.948048	129.6
[M-H]-	140.951554	120.1
[M+NH4]+	159.992653	142.8
[M+K]+	180.921988	127.1
[M+H-H2O]+	124.956090	117.9
[M+HCOO]-	186.957031	134.9
[M+CH3COO]-	200.972681	170.3
[M+Na-2H]-	162.933496	126.4
[M]+	141.95828142	124.1
[M]-	141.95937858	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe