CID 92052

56187-37-2

Structural Information

Molecular Formula

C₇H₅Cl₂NO₃

SMILES

C1=C(C(=O)C(=CN1CC(=O)O)Cl)Cl

InChI

InChI=1S/C7H5Cl2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)

InChIKey

MFMXEEQESUEMSB-UHFFFAOYSA-N

Compound name

2-(3,5-dichloro-4-oxopyridin-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 220.96465 Da
Monoisotopic Mass: 1.5
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]+	221.97193	137.9
[M+Na]+	243.95387	152.1
[M+NH4]+	238.99847	145.1
[M+K]+	259.92781	146.4
[M-H]-	219.95737	137.8
[M+Na-2H]-	241.93932	143.6
[M]+	220.96410	140.3
[M]-	220.96520	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe