CID 58851954

5-bromo-6-chloropyrazin-2-ol

Structural Information

Molecular Formula

C₄H₂BrClN₂O

SMILES

C1=NC(=C(NC1=O)Cl)Br

InChI

InChI=1S/C4H2BrClN2O/c5-3-4(6)8-2(9)1-7-3/h1H,(H,8,9)

InChIKey

DETUORWCDWYCHL-UHFFFAOYSA-N

Compound name

5-bromo-6-chloro-1H-pyrazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 207.9039 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]+	208.91118	124.1
[M+Na]+	230.89312	139.3
[M-H]-	206.89662	127.4
[M+NH4]+	225.93772	144.8
[M+K]+	246.86706	126.4
[M+H-H2O]+	190.90116	125.0
[M+HCOO]-	252.90210	139.9
[M+CH3COO]-	266.91775	177.3
[M+Na-2H]-	228.87857	134.1
[M]+	207.90335	143.3
[M]-	207.90445	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe