CID 11263

2,3-dichloropropionic acid

Structural Information

Molecular Formula

C₃H₄Cl₂O₂

SMILES

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

InChI

InChI=1S/C3H4Cl2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)

InChIKey

GKFWNPPZHDYVLI-UHFFFAOYSA-N

Compound name

2,3-dichloropropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 495
Patents: 141.95883 Da
Monoisotopic Mass: 1.0
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]+	142.96611	120.8
[M+Na]+	164.94805	132.1
[M+NH4]+	159.99265	128.9
[M+K]+	180.92199	127.3
[M-H]-	140.95155	119.2
[M+Na-2H]-	162.93350	124.6
[M]+	141.95828	122.2
[M]-	141.95938	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe