CID 129948744

2-(5-bromo-2-chloropyridin-3-yl)acetic acid

Structural Information

Molecular Formula

C₇H₅BrClNO₂

SMILES

C1=C(C=NC(=C1CC(=O)O)Cl)Br

InChI

InChI=1S/C7H5BrClNO2/c8-5-1-4(2-6(11)12)7(9)10-3-5/h1,3H,2H2,(H,11,12)

InChIKey

MCMOYAPWDPXPAY-UHFFFAOYSA-N

Compound name

2-(5-bromo-2-chloropyridin-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.91922 Da
Monoisotopic Mass: 2.0
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]+	249.92650	140.7
[M+Na]+	271.90844	145.0
[M+NH4]+	266.95304	145.0
[M+K]+	287.88238	145.2
[M-H]-	247.91194	140.0
[M+Na-2H]-	269.89389	143.9
[M]+	248.91867	140.1
[M]-	248.91977	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe