CID 72212645

6-bromopyrazine-2-carboxylic acid

Structural Information

Molecular Formula

C₅H₃BrN₂O₂

SMILES

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

InChI

InChI=1S/C5H3BrN2O2/c6-4-2-7-1-3(8-4)5(9)10/h1-2H,(H,9,10)

InChIKey

HKGHXDMQMSAZSQ-UHFFFAOYSA-N

Compound name

6-bromopyrazine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 201.93779 Da
Monoisotopic Mass: 0.7
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]+	202.94507	131.2
[M+Na]+	224.92701	134.5
[M+NH4]+	219.97161	134.8
[M+K]+	240.90095	136.0
[M-H]-	200.93051	129.7
[M+Na-2H]-	222.91246	134.5
[M]+	201.93724	129.9
[M]-	201.93834	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe