CID 76849750

1209782-02-4

Structural Information

Molecular Formula

C₆H₃BrClN₃

SMILES

C1=C2C(=NC=C(N2C=N1)Br)Cl

InChI

InChI=1S/C6H3BrClN3/c7-5-2-10-6(8)4-1-9-3-11(4)5/h1-3H

InChIKey

ZXAOZDUZOLCLGD-UHFFFAOYSA-N

Compound name

5-bromo-8-chloroimidazo[1,5-a]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 230.91989 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]+	231.927166	132.7
[M+Na]+	253.909108	149.7
[M-H]-	229.912614	137.1
[M+NH4]+	248.953713	154.8
[M+K]+	269.883048	137.3
[M+H-H2O]+	213.917150	132.6
[M+HCOO]-	275.918091	149.7
[M+CH3COO]-	289.933741	149.3
[M+Na-2H]-	251.894556	143.2
[M]+	230.91934142	155.1
[M]-	230.92043858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe