CID 71627137

2,5-dibromo-3-chloropyrazine

Structural Information

Molecular Formula

C₄HBr₂ClN₂

SMILES

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

InChI

InChI=1S/C4HBr2ClN2/c5-2-1-8-3(6)4(7)9-2/h1H

InChIKey

NACQYBDFEPOOQF-UHFFFAOYSA-N

Compound name

2,5-dibromo-3-chloropyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 269.8195 Da
Monoisotopic Mass: 2.8
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]+	270.82678	122.9
[M+Na]+	292.80872	137.1
[M-H]-	268.81222	128.4
[M+NH4]+	287.85332	142.3
[M+K]+	308.78266	120.8
[M+H-H2O]+	252.81676	131.9
[M+HCOO]-	314.81770	135.6
[M+CH3COO]-	328.83335	197.3
[M+Na-2H]-	290.79417	133.2
[M]+	269.81895	158.4
[M]-	269.82005	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe