CID 15823112

126353-32-0

Structural Information

Molecular Formula

C₆H₅BrN₂O

SMILES

C1=CN=C(C=N1)C(=O)CBr

InChI

InChI=1S/C6H5BrN2O/c7-3-6(10)5-4-8-1-2-9-5/h1-2,4H,3H2

InChIKey

UJIRAGIEBOAGOA-UHFFFAOYSA-N

Compound name

2-bromo-1-pyrazin-2-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 167
Patents: 199.95853 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]+	200.96581	131.7
[M+Na]+	222.94775	135.4
[M+NH4]+	217.99235	136.0
[M+K]+	238.92169	135.8
[M-H]-	198.95125	131.0
[M+Na-2H]-	220.93320	136.0
[M]+	199.95798	130.7
[M]-	199.95908	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe