CID 16740863

3,5-dibromo-2(1h)-pyrazinone

Structural Information

Molecular Formula

C₄H₂Br₂N₂O

SMILES

C1=C(N=C(C(=O)N1)Br)Br

InChI

InChI=1S/C4H2Br2N2O/c5-2-1-7-4(9)3(6)8-2/h1H,(H,7,9)

InChIKey

NHVGHXUOFWEOSN-UHFFFAOYSA-N

Compound name

3,5-dibromo-1H-pyrazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 251.8534 Da
Monoisotopic Mass: 1.3
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]+	252.86068	120.8
[M+Na]+	274.84262	133.5
[M-H]-	250.84612	125.2
[M+NH4]+	269.88722	139.2
[M+K]+	290.81656	118.0
[M+H-H2O]+	234.85066	129.2
[M+HCOO]-	296.85160	136.2
[M+CH3COO]-	310.86725	193.3
[M+Na-2H]-	272.82807	130.8
[M]+	251.85285	154.1
[M]-	251.85395	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe