CID 13062968

3,5-dichloro-1-methyl-1,2-dihydropyrazin-2-one

Structural Information

Molecular Formula

C₅H₄Cl₂N₂O

SMILES

CN1C=C(N=C(C1=O)Cl)Cl

InChI

InChI=1S/C5H4Cl2N2O/c1-9-2-3(6)8-4(7)5(9)10/h2H,1H3

InChIKey

QHMYGZJTKUTEAB-UHFFFAOYSA-N

Compound name

3,5-dichloro-1-methylpyrazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 177.97006 Da
Monoisotopic Mass: 1.4
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]+	178.977336	126.4
[M+Na]+	200.959278	139.4
[M-H]-	176.962784	127.5
[M+NH4]+	196.003883	145.8
[M+K]+	216.933218	135.0
[M+H-H2O]+	160.967320	121.3
[M+HCOO]-	222.968261	140.1
[M+CH3COO]-	236.983911	178.0
[M+Na-2H]-	198.944726	133.4
[M]+	177.96951142	130.2
[M]-	177.97060858	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe