CID 118877896

2092511-19-6

Structural Information

Molecular Formula

C₇H₆BrNO₃

SMILES

C1=CN(C(=O)C=C1Br)CC(=O)O

InChI

InChI=1S/C7H6BrNO3/c8-5-1-2-9(4-7(11)12)6(10)3-5/h1-3H,4H2,(H,11,12)

InChIKey

INCAMIFWGMKSNK-UHFFFAOYSA-N

Compound name

2-(4-bromo-2-oxopyridin-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 230.95311 Da
Monoisotopic Mass: 0.4
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]+	231.96039	137.3
[M+Na]+	253.94233	140.4
[M+NH4]+	248.98693	140.6
[M+K]+	269.91627	141.9
[M-H]-	229.94583	135.9
[M+Na-2H]-	251.92778	139.9
[M]+	230.95256	135.9
[M]-	230.95366	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe