CID 145874428

3-bromo-5-iodopyrazin-2-ol

Structural Information

Molecular Formula

C₄H₂BrIN₂O

SMILES

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

InChI

InChI=1S/C4H2BrIN2O/c5-3-4(9)7-1-2(6)8-3/h1H,(H,7,9)

InChIKey

SMACWHAJQNCVOT-UHFFFAOYSA-N

Compound name

3-bromo-5-iodo-1H-pyrazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 299.8395 Da
Monoisotopic Mass: 1.1
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]+	300.84678	131.0
[M+Na]+	322.82872	138.0
[M-H]-	298.83222	127.8
[M+NH4]+	317.87332	146.6
[M+K]+	338.80266	132.7
[M+H-H2O]+	282.83676	127.5
[M+HCOO]-	344.83770	146.4
[M+CH3COO]-	358.85335	184.8
[M+Na-2H]-	320.81417	129.5
[M]+	299.83895	145.3
[M]-	299.84005	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe