CID 95429

Methyl 2,3-dichloropropionate

Structural Information

Molecular Formula

C₄H₆Cl₂O₂

SMILES

COC(=O)C(CCl)Cl

InChI

InChI=1S/C4H6Cl2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3

InChIKey

OFHMODDLBXETIK-UHFFFAOYSA-N

Compound name

methyl 2,3-dichloropropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3224
Patents: 155.97449 Da
Monoisotopic Mass: 1.4
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]+	156.98177	124.7
[M+Na]+	178.96371	136.4
[M+NH4]+	174.00831	133.1
[M+K]+	194.93765	131.1
[M-H]-	154.96721	123.7
[M+Na-2H]-	176.94916	128.9
[M]+	155.97394	126.5
[M]-	155.97504	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe