CID 68738532

889865-56-9

Structural Information

Molecular Formula

C₇H₈BrNO₂

SMILES

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

InChI

InChI=1S/C7H8BrNO2/c8-6-1-2-9(3-4-10)7(11)5-6/h1-2,5,10H,3-4H2

InChIKey

GQPBXJHZWYTNFM-UHFFFAOYSA-N

Compound name

4-bromo-1-(2-hydroxyethyl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 216.97385 Da
Monoisotopic Mass: 0.1
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]+	217.98113	133.3
[M+Na]+	239.96307	146.1
[M-H]-	215.96657	137.6
[M+NH4]+	235.00767	153.9
[M+K]+	255.93701	135.0
[M+H-H2O]+	199.97111	133.4
[M+HCOO]-	261.97205	153.9
[M+CH3COO]-	275.98770	181.4
[M+Na-2H]-	237.94852	141.8
[M]+	216.97330	152.6
[M]-	216.97440	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe