CID 58303386

3,5-dibromo-2-methoxypyrazine

Structural Information

Molecular Formula

C₅H₄Br₂N₂O

SMILES

COC1=NC=C(N=C1Br)Br

InChI

InChI=1S/C5H4Br2N2O/c1-10-5-4(7)9-3(6)2-8-5/h2H,1H3

InChIKey

DODAPRNRDPTFIT-UHFFFAOYSA-N

Compound name

3,5-dibromo-2-methoxypyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 265.86905 Da
Monoisotopic Mass: 2.1
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]+	266.876326	124.6
[M+Na]+	288.858268	137.3
[M-H]-	264.861774	130.0
[M+NH4]+	283.902873	143.3
[M+K]+	304.832208	122.8
[M+H-H2O]+	248.866310	132.8
[M+HCOO]-	310.867251	140.8
[M+CH3COO]-	324.882901	198.1
[M+Na-2H]-	286.843716	134.7
[M]+	265.86850142	160.2
[M]-	265.86959858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe